Publication list up to 2020 (from newest to oldest)

(212)  Teloxa, S. F.; Kennington, S. C. D.; Camats, M.; Romea, P.; Urpí, F.; Aullón, G.; Font-Bardia, M. Direct, Enantioselective, and Nickel(II) Catalyzed Reactions of N-Azidoacetyl Thioimides with Trimethyl Orthoformate: A New Combined Methodology for the Rapid Synthesis of Lacosamide and Derivatives. Chem. – Eur. J. 2020, 26 (50), 11540–11548. https://doi.org/10.1002/chem.202001057.

(211)  Neira, A. C.; Martínez-Alanis, P. R.; Aullón, G.; Flores-Alamo, M.; Zerón, P.; Company, A.; Chen, J.; Kasper, J. B.; Browne, W. R.; Nordlander, E.; Castillo, I. Erratum: Oxidative Cleavage of Cellobiose by Lytic Polysaccharide Monooxygenase (LPMO)-Inspired Copper Complexes (ACS Omega (2019) 4:6 (10729-10740) DOI: 10.1021/Acsomega.9b00785). ACS Omega 2020, 5 (43), 28403. https://doi.org/10.1021/acsomega.0c04910.

(210)  Lázaro, A.; Cunha, C.; Bosque, R.; Pina, J.; Ward, J. S.; Truong, K.-N.; Rissanen, K.; Lima, J. C.; Crespo, M.; Seixas De Melo, J. S.; Rodríguez, L. Room-Temperature Phosphorescence and Efficient Singlet Oxygen Production by Cyclometalated Pt(II) Complexes with Aromatic Alkynyl Ligands. Inorg. Chem. 2020, 59 (12), 8220–8230. https://doi.org/10.1021/acs.inorgchem.0c00577.

(209)  Huentupil, Y.; Chung, P.; Novoa, N.; Arancibia, R.; Roussel, P.; Oyarzo, J.; Klahn, A. H.; Silva, C.; Calvis, C.; Messeguer, R.; Bosque, R.; López, C. Novel Multifunctional and Multitarget Homo- (Fe2) and Heterobimetallic [(Fe,M) with M = Re or Mn] Sulfonyl Hydrazones. Dalton Trans. 2020, 49 (35), 12249–12265. https://doi.org/10.1039/d0dt01756f.

(208)  Expósito, J. E.; Aullón, G.; Bardají, M.; Miguel, J. A.; Espinet, P. Fluorescent Perylenylpyridine Complexes: An Experimental and Theoretical Study. Dalton Trans. 2020, 49 (38), 13326–13338. https://doi.org/10.1039/d0dt02494e.

(207)  Tomé, M.; Grabulosa, A.; Rocamora, M.; Aullón, G.; Font-Bardía, M.; Calvet, T.; López, C. Synthesis, Characterization, Solution Behavior and Theoretical Studies of Pd(II) Allyl Complexes with 2-Phenyl-3H-Indoles as Ligands. Catalysts 2019, 9 (10). https://doi.org/10.3390/catal9100811.

(206)  Pinto, A.; Hernández, G.; Gavara, R.; Aguiló, E.; Moro, A. J.; Aullón, G.; Malfois, M.; Lima, J. C.; Rodríguez, L. Supramolecular Tripodal Au(i) Assemblies in Water. Interactions with a Pyrene Fluorescent Probe. New J. Chem. 2019, 43 (21), 8279–8289. https://doi.org/10.1039/c9nj00469f.

(205)  Oyarzo, J.; Bosque, R.; Toro, P.; Silva, C. P.; Arancibia, R.; Font-Bardía, M.; Artigas, V.; Calvis, C.; Messeguer, R.; Klahn, A. H.; López, C. A Novel Type of Organometallic 2-R-2,4-Dihydro-1H-3,1-Benzoxazine with R = [M(η 5 -C 5 H 4 )(CO) 3 ] (M = Re or Mn) Units. Experimental and Computational Studies of the Effect of Substituent R on Ring-Chain Tautomerism. Dalton Trans. 2019, 48 (3), 1023–1039. https://doi.org/10.1039/c8dt03265c.

(204)  Neira, A. C.; Martínez-Alanis, P. R.; Aullón, G.; Flores-Alamo, M.; Zerón, P.; Company, A.; Chen, J.; Kasper, J. B.; Browne, W. R.; Nordlander, E.; Castillo, I. Oxidative Cleavage of Cellobiose by Lytic Polysaccharide Monooxygenase (LPMO)-Inspired Copper Complexes. ACS Omega 2019, 4 (6), 10729–10740. https://doi.org/10.1021/acsomega.9b00785.

(203)  Mondragón-Díaz, A.; Robles-Marín, E.; Murueta-Cruz, B. A.; Aquite, J. C.; Martínez-Alanis, P. R.; Flores-Alamo, M.; Aullón, G.; Benítez, L. N.; Castillo, I. Conformational Effects of [Ni2(μ-ArS)2] Cores on Their Electrocatalytic Activity. Chem. – Asian J. 2019, 14 (19), 3301–3312. https://doi.org/10.1002/asia.201901037.

(202)  Mondal, A. K.; Jover, J.; Ruiz, E.; Konar, S. Single-Ion Magnetic Anisotropy in a Vacant Octahedral Co(Ii) Complex. Dalton Trans. 2019, 48 (1), 25–29. https://doi.org/10.1039/c8dt03862g.

(201)  Kennington, S. C. D.; Taylor, A. J.; Romea, P.; Urpí, F.; Aullón, G.; Font-Bardia, M.; Ferré, L.; Rodrigalvarez, J. Direct and Asymmetric Nickel(II)-Catalyzed Construction of Carbon-Carbon Bonds from N-Acyl Thiazinanethiones. Org. Lett. 2019, 21 (1), 305–309. https://doi.org/10.1021/acs.orglett.8b03757.

(200)  Jover, J.; Cirera, J. Computational Assessment on the Tolman Cone Angles for P-Ligands. Dalton Trans. 2019, 48 (40), 15036–15048. https://doi.org/10.1039/c9dt02876e.

(199)  Jover, J.; Brozek, C. K.; Dincǎ, M.; López, N. Computational Exploration of NO Single-Site Disproportionation on Fe-MOF-5. Chem. Mater. 2019. https://doi.org/10.1021/acs.chemmater.9b02910.

(198)  Jover, J. Nickel-Catalyzed Aryl Trifluoromethyl Sulfide Synthesis: A DFT Study. Catal. Sci. Technol. 2019, 9 (21), 5962–5970. https://doi.org/10.1039/c9cy01365b.

(197)  del Horno, E.; Jover, J.; Mena, M.; Pérez-Redondo, A.; Yélamos, C. Ammonia-Borane Derived BN Fragments Trapped on Bi- and Trimetallic Titanium(III) Systems. Chem. – Eur. J. 2019, 25 (29), 7096–7100. https://doi.org/10.1002/chem.201900083.

(196)  Dasgupta, S.; Chakraborty, P.; Kundu, P.; Kara, H.; Aullón, G.; Zangrando, E.; Das, D. Designing Antiferromagnetically Coupled Mono-, Di-And Tri-Bridged Copper(Ii)-Based Catecholase Models by Varying the “Auxiliary Parts” of the Ligand and Anionic Co-Ligand. CrystEngComm 2019, 21 (46), 7094–7107. https://doi.org/10.1039/c9ce01115c.

(195)  Dasgupta, S.; Aullón, G.; Zangrando, E.; Das, D. Mapping the Working Route of Phosphate Monoester Hydrolysis Catalyzed by Copper Based Models with Special Emphasis on the Role of Oxoanions by Experimental and Theoretical Studies. New J. Chem. 2019, 43 (6), 2501–2512. https://doi.org/10.1039/C8NJ04018D.

(194)  Aullón, G.; Laguna, A.; Filippov, O. A.; Oliva-Enrich, J. M. Trinuclear Gold–Carborane Cluster as a Host Structure. Eur. J. Inorg. Chem. 2019, 2019 (1), 18–22. https://doi.org/10.1002/ejic.201801094.

(193)     Aullón, G. On the Silicon-Silicon Bonds σ-Coordinated to Group 10 Transition Metals. Inorganica Chim. Acta 2019, 486, 449–457. https://doi.org/10.1016/j.ica.2018.10.056.

(192)  Sertphon, D.; Murray, K. S.; Phonsri, W.; Jover, J.; Ruiz, E.; Telfer, S. G.; Alkaş, A.; Harding, P.; Harding, D. J. Slow Relaxation of Magnetization in a Bis-: Mer -Tridentate Octahedral Co(II) Complex. Dalton Trans. 2018, 47 (3), 859–867. https://doi.org/10.1039/c7dt04335j.

(191)  Robles-Marín, E.; Mondragón, A.; Martínez-Alanis, P. R.; Aullón, G.; Flores-Alamo, M.; Castillo, I. Easily Reduced Bis-Pincer (: NS 2)2molybdenum(Iv) to (NHS 2)2Mo(Ii) by Alcohols vs. Redox-Inert (NS 2)(NHS 2)Iron(Iii) Complexes. Dalton Trans. 2018, 47 (32), 10932–10940. https://doi.org/10.1039/c8dt01562g.

(190)  Rigamonti, L.; Bridonneau, N.; Poneti, G.; Tesi, L.; Sorace, L.; Pinkowicz, D.; Jover, J.; Ruiz, E.; Sessoli, R.; Cornia, A. A Pseudo-Octahedral Cobalt(II) Complex with Bispyrazolylpyridine Ligands Acting as a Zero-Field Single-Molecule Magnet with Easy Axis Anisotropy. Chem. – Eur. J. 2018, 24 (35), 8857–8868. https://doi.org/10.1002/chem.201801026.

(189)  Reig, M.; Bosque, R.; Font-Bardía, M.; Calvis, C.; Messeguer, R.; Baldomà, L.; Badía, J.; Velasco, D.; López, C. A Study of the Properties, Reactivity and Anticancer Activity of Novel N-Methylated-3-Thiazolyl or 3-Thienyl Carbazoles and Their Pd(II) and Pt(II) Complexes. J. Inorg. Biochem. 2018, 184, 134–145. https://doi.org/10.1016/j.jinorgbio.2018.03.008.

(188)  Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M. Indirect Effect of Hydrogen Bonds on the Magnetic Coupling on Mn(Iii) Dinuclear Compounds. CrystEngComm 2018, 20 (41), 6629–6639. https://doi.org/10.1039/c8ce01194j.

(187)  Oyarzo, J.; Acuña, A.; Klahn, H.; Arancibia, R.; Silva, C. P.; Bosque, R.; López, C.; Font-Bardía, M.; Calvis, C.; Messeguer, R. Isomeric and Hybrid Ferrocenyl/Cyrhetrenyl Aldimines: A New Family of Multifunctional Compounds. Dalton Trans. 2018, 47 (5), 1635–1649. https://doi.org/10.1039/c7dt04142j.

(186)  Jover, J. Zn(II) Byproduct Enhances the Cu-Catalyzed Cross-Coupling of Bromozinc Difluorophosphonate with Iodobenzoates: A DFT Study. Organometallics 2018, 37 (3), 327–336. https://doi.org/10.1021/acs.organomet.7b00739.

(185)  Clemente, M.; Polat, I. H.; Albert, J.; Bosque, R.; Crespo, M.; Granell, J.; López, C.; Martínez, M.; Quirante, J.; Messeguer, R.; Calvis, C.; Badía, J.; Baldomà, L.; Font-Bardia, M.; Cascante, M. Platinacycles Containing a Primary Amine Platinum(II) Compounds for Treating Cisplatin-Resistant Cancers by Oxidant Therapy. Organometallics 2018, 37 (20), 3502–3514. https://doi.org/10.1021/acs.organomet.8b00206.

(184)  Bosque, R.; Crespo, M.; Escolà, A.; Font-Bardia, M. Mono and Dinuclear Bis(Ortho-Tolyl)Platinum(II) Compounds Containing Diethyl Sulfide Ligands: Synthesis, DFT Studies and Use as Precursors in Cycloplatination Reactions. J. Organomet. Chem. 2018, 854, 122–130. https://doi.org/10.1016/j.jorganchem.2017.11.020.

(183)    Aumaitre, C.; Rodriguez-Seco, C.; Jover, J.; Bardagot, O.; Caffy, F.; Kervella, Y.; López, N.; Palomares, E.; Demadrille, R. Visible and Near-Infrared Organic Photosensitizers Comprising Isoindigo Derivatives as Chromophores: Synthesis, Optoelectronic Properties and Factors Limiting Their Efficiency in Dye Solar Cells. J. Mater. Chem. A 2018, 6 (21), 10074–10084. https://doi.org/10.1039/c8ta01826j.

(182)    Alcázar, L.; Bernhardt, P. V.; Ferrer, M.; Font-Bardia, M.; Gallen, A.; Jover, J.; Martínez, M.; Peters, J.; Zerk, T. J. Kineticomechanistic Study of the Redox pH Cycling Processes Occurring on a Robust Water-Soluble Cyanido-Bridged Mixed-Valence CoIII/FeII2 Square. Inorg. Chem. 2018, 57 (14), 8465–8475. https://doi.org/10.1021/acs.inorgchem.8b01147.

(181)    Wang, L.-F.; Qiu, J.-Z.; Hong, J.-Y.; Chen, Y.-C.; Li, Q.-W.; Jia, J.-H.; Jover, J.; Ruiz, E.; Liu, J.-L.; Tong, M.-L. Tunable Magnetization Dynamics through Solid-State Ligand Substitution Reaction. Inorg. Chem. 2017, 56 (15), 8829–8836. https://doi.org/10.1021/acs.inorgchem.7b00701.

(180)    Purkait, S.; Aullón, G.; Zangrando, E.; Chakraborty, P. Group 12 Metal Complexes of (2-Piperazine-1-Yl-Ethyl)-Pyridin-2-Yl-Methylene-Amine: Rare Participation of Terminal Piperazine N in Coordination Leads to Structural Diversity. Dalton Trans. 2017, 46 (7), 2184–2195. https://doi.org/10.1039/C6DT04578B.

(179)    Mondal, A. K.; Jover, J.; Ruiz, E.; Konar, S. Quantitative Estimation of Ising-Type Magnetic Anisotropy in a Family of C3-Symmetric CoII Complexes. Chem. – Eur. J. 2017, 23 (51), 12550–12558. https://doi.org/10.1002/chem.201702108.

(178)    Mondal, A. K.; Jover, J.; Ruiz, E.; Konar, S. Investigation of Easy-Plane Magnetic Anisotropy in P-Ligand Square-Pyramidal CoII Single Ion Magnets. Chem. Commun. 2017, 53 (38), 5338–5341. https://doi.org/10.1039/c7cc02584j.

(177)    Jover, J. Quantitative DFT Modeling of Product Concentration in Organometallic Reactions: Cu-Mediated Pentafluoroethylation of Benzoic Acid Chlorides as a Case Study. Phys. Chem. Chem. Phys. 2017, 19 (43), 29344–29353. https://doi.org/10.1039/c7cp05709a.

(176)    Gómez-Palomino, A.; Pellicena, M.; Krämer, K.; Romea, P.; Urpí, F.; Aullón, G.; Padrón, J. M. Total Synthesis of (+)-Herboxidiene/GEX 1A. Org. Biomol. Chem. 2017, 15 (8), 1842–1862. https://doi.org/10.1039/c7ob00072c.

(175)    Echeverría, J.; Aullón, G.; Alvarez, S. Intermolecular Interactions in Group 14 Hydrides: Beyond C-H···H-C Contacts. Int. J. Quantum Chem. 2017, 117 (21). https://doi.org/10.1002/qua.25432.

(174)    Echeverría, J.; Aullón, G.; Alvarez, S. Dihydrogen Intermolecular Contacts in Group 13 Compounds: H⋯H or E⋯H (E = B, Al, Ga) Interactions? Dalton Trans. 2017, 46 (9), 2844–2854. https://doi.org/10.1039/c6dt02854c.

(173)    Cortes-Clerget, M.; Jover, J.; Dussart, J.; Kolodziej, E.; Monteil, M.; Migianu-Griffoni, E.; Gager, O.; Deschamp, J.; Lecouvey, M. Bifunctional Tripeptide with a Phosphonic Acid as a Brønsted Acid for Michael Addition: Mechanistic Insights. Chem. – Eur. J. 2017, 23 (27), 6654–6662. https://doi.org/10.1002/chem.201700604.

(172)    Brunet, G.; Safin, D. A.; Jover, J.; Ruiz, E.; Murugesu, M. Single-Molecule Magnetism Arising from Cobalt(Ii) Nodes of a Crystalline Sponge. J. Mater. Chem. C 2017, 5 (4), 835–841. https://doi.org/10.1039/c6tc04703c.

(171)    Bartocci, S.; Sabaté, F.; Yafteh Mihan, F.; Bosque, R.; Rodríguez, L.; Dalla Cort, A. Novel Uranyl(VI) Complexes Incorporating Ethynyl Groups as Potential Halide Chemosensors: An Experimental and Computational Approach. Supramol. Chem. 2017, 29 (11), 922–927. https://doi.org/10.1080/10610278.2017.1361036.

(170)    Aullón, G.; Romea, P.; Urpí, F. Substrate-Controlled Aldol Reactions from Chiral α-Hydroxy Ketones. Synth. Ger. 2017, 49 (3), 484–503. https://doi.org/10.1055/s-0036-1588888.

(169)    Aullón, G.; Crespo, M.; Jover, J.; Martínez, M. Diarylplatinum(II) Scaffolds for Kinetic and Mechanistic Studies on the Formation of Platinacycles via an Oxidative Addition/Reductive Elimination/Oxidative Addition Sequence. Adv. Inorg. Chem. 2017, 70, 195–242. https://doi.org/10.1016/bs.adioch.2017.01.001.

(168)    Seth, P.; Figuerola, A.; Jover, J.; Ruiz, E.; Ghosh, A. Antiferro- to Ferromagnetic Crossover in Diphenoxido Bridged NiII2MnII Complexes Derived from N2O2 Donor Schiff Base Ligands. Polyhedron 2016, 117, 57–63. https://doi.org/10.1016/j.poly.2016.05.021.

(167)    Sabaté, F.; Gavara, R.; Giannicchi, I.; Bosque, R.; Cort, A. D.; Rodríguez, L. Ternary Assemblies Comprising Metal-Salophen Complexes and 4,4′-Bipyridine. New J. Chem. 2016, 40 (7), 5714–5721. https://doi.org/10.1039/c5nj03210e.

(166)    Mondragón, A.; Martínez-Alanis, P. R.; Aullón, G.; Hernández-Ortega, S.; Robles-Marín, E.; Flores-Alamo, M.; Ugalde-Saldívar, V. M.; Castillo, I. Redox Flexibility of Iron Complexes Supported by Sulfur-Based Tris(: O -Methylenethiophenolato)Amine Relative to Its Tripodal Oxygen-Based Congener. Dalton Trans. 2016, 45 (24), 9996–10006. https://doi.org/10.1039/c6dt00814c.

(165)    Jover, J.; Maseras, F. Mechanistic Investigation of Iridium-Catalyzed C-H Borylation of Methyl Benzoate: Ligand Effects in Regioselectivity and Activity. Organometallics 2016, 35 (18), 3221–3226. https://doi.org/10.1021/acs.organomet.6b00562.

(164)    Jover, J.; García-Ratés, M.; López, N. The Interplay between Homogeneous and Heterogeneous Phases of PdAu Catalysts for the Oxidation of Alcohols. ACS Catal. 2016, 6 (7), 4135–4143. https://doi.org/10.1021/acscatal.6b00832.

(163)    Gómez, J.; Leiva, N.; Arancibia, R.; Oyarzo, J.; Buono-Core, G. E.; Klahn, A. H.; Artigas, V.; Fuentealba, M.; Bosque, R.; Aullón, G.; López, C.; Font-Bardía, M.; Calvet, T. Synthesis, Characterization, Crystal Structures and Computational Studies on Novel Cyrhetrenyl Hydrazones. J. Organomet. Chem. 2016, 819, 129–137. https://doi.org/10.1016/j.jorganchem.2016.06.026.

(162)    Bartocci, S.; Sabaté, F.; Bosque, R.; Keymeulen, F.; Bartik, K.; Rodríguez, L.; Dalla Cort, A. Colorimetric and Fluorescence “Turn-on” Recognition of Fluoride by a Maleonitrile-Based Uranyl Salen-Complex. Dyes Pigments 2016, 135, 94–101. https://doi.org/10.1016/j.dyepig.2016.06.006.

(161)    Alcázar, L.; Aullón, G.; Ferrer, M.; Martínez, M. Redox-Assisted Self-Assembly of a Water-Soluble Cyanido-Bridged Mixed Valence CoIII/FeII2Square. Chem. – Eur. J. 2016, 22 (43), 15227–15230. https://doi.org/10.1002/chem.201603482.

(160)    Albert, J.; Bosque, R.; D’Andrea, L.; Durán, J. A.; Granell, J.; Font-Bardia, M.; Calvet, T. Synthesis and Crystal Structure of the Dinuclear Cyclopalladated Compounds of Methyl (E)-4-(Benzylideneamino)Benzoate with Acetato and Chlorido Bridge Ligands: Study of Their Splitting Reactions with Pyridine. J. Organomet. Chem. 2016, 815–816, 44–52. https://doi.org/10.1016/j.jorganchem.2016.05.003.

(159)    Wang, L.-F.; Qiu, J.-Z.; Liu, J.-L.; Chen, Y.-C.; Jia, J.-H.; Jover, J.; Ruiz, E.; Tong, M.-L. Modulation of Single-Molecule Magnet Behaviour via Photochemical [2+2] Cycloaddition. Chem. Commun. 2015, 51 (84), 15358–15361. https://doi.org/10.1039/c5cc07073b.

(158)    Peigné, B.; Aullón, G. Structural Analysis of the Coordination of Dinitrogen to Transition Metal Complexes. Acta Crystallogr. Sect. B Struct. Sci. Cryst. Eng. Mater. 2015, 71, 369–386. https://doi.org/10.1107/S2052520615006083.

(157)    Mondragón, A.; Flores-Alamo, M.; Martínez-Alanis, P. R.; Aullón, G.; Ugalde-Saldívar, V. M.; Castillo, I. Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-Type NS2 Aminobis(Thiophenolate) Ligand. Inorg. Chem. 2015, 54 (2), 619–627. https://doi.org/10.1021/ic502547y.

(156)    Mahy, W.; Plucinski, P.; Jover, J.; Frost, C. G. Ruthenium-Catalyzed O- to S-Alkyl Migration: A Pseudoreversible Barton-McCombie Pathway. Angew. Chem. – Int. Ed. 2015, 54 (37), 10944–10948. https://doi.org/10.1002/anie.201505280.

(155)    Jover, J.; Maseras, F. QM/MM Calculations on Selectivity in Homogeneous Catalysis. Struct. Bond. 2015, 167, 59–80. https://doi.org/10.1007/430_2015_188.

(154)    Jover, J. Copper-Catalyzed Eglinton Oxidative Homocoupling of Terminal Alkynes: A Computational Study. J. Chem. 2015, 2015. https://doi.org/10.1155/2015/430358.

(153)    Expósito, J. E.; Álvarez-Paíno, M.; Aullón, G.; Miguel, J. A.; Espinet, P. Higher Fluorescence in Platinum(Iv) Orthometallated Complexes of Perylene Imine Compared with Their Platinum(Ii) or Palladium(Ii) Analogues. Dalton Trans. 2015, 44 (36), 16164–16176. https://doi.org/10.1039/c5dt02572a.

(152)    Escriche-Tur, L.; Jover, J.; Font-Bardia, M.; Aullón, G.; Corbella, M. Magnetic Behavior of Heterometallic Wheels Having a [MnIV6M2O9]10+ Core with M = Ca2+ and Sr2+. Inorg. Chem. 2015, 54 (24), 11596–11605. https://doi.org/10.1021/acs.inorgchem.5b02131.

(151)    Aullón, G.; Crespo, M.; Font-Bardia, M.; Jover, J.; Martínez, M.; Pike, J. A Combined Kinetico-Mechanistic and Computational Study on the Competitive Formation of Seven- versus Five-Membered Platinacycles; The Relevance of Spectator Halide Ligands. Dalton Trans. 2015, 44 (41), 17968–17979. https://doi.org/10.1039/c5dt02657a.

(150)    Álvarez, C. M.; Aullón, G.; Barbero, H.; García-Escudero, L. A.; Martínez-Pérez, C.; Martín-Álvarez, J. M.; Miguel, D. Assembling Nonplanar Polyaromatic Units by Click Chemistry. Study of Multicorannulene Systems as Host for Fullerenes. Org. Lett. 2015, 17 (11), 2578–2581. https://doi.org/10.1021/acs.orglett.5b01161.

(149)    Albert, J.; Bosque, R.; Crespo, M.; Granell, J.; López, C.; Martín, R.; González, A.; Jayaraman, A.; Quirante, J.; Calvis, C.; Badía, J.; Baldomà, L.; Font-Bardia, M.; Cascante, M.; Messeguer, R. Neutral and Ionic Platinum Compounds Containing a Cyclometallated Chiral Primary Amine: Synthesis, Antitumor Activity, DNA Interaction and Topoisomerase I-Cathepsin B Inhibition. Dalton Trans. 2015, 44 (30), 13602–13614. https://doi.org/10.1039/c5dt01713k.

(148)    Adhikary, J.; Kundu, P.; Dasgupta, S.; Mukherjee, S.; Chattopadhyay, S.; Aullón, G.; Das, D. Nickel(II) Complexes Having Different Configurations Controlled by N,N,O-Donor Schiff-Base Ligands in Presence of Isothiocyanate as Co-Ligand: Synthesis, Structures, Comparative Biological Activity and DFT Study. Polyhedron 2015, 101, 93–102. https://doi.org/10.1016/j.poly.2015.07.055.

(147)    Seth, P.; Figuerola, A.; Jover, J.; Ruiz, E.; Ghosh, A. Ferro- to Antiferromagnetic Crossover Angle in Diphenoxido- and Carboxylato-Bridged Trinuclear NiII2-MnII Complexes: Experimental Observations and Theoretical Rationalization. Inorg. Chem. 2014, 53 (17), 9296–9305. https://doi.org/10.1021/ic501425x.

(146)    López, C.; Bosque, R.; Pujol, M.; Simó, J.; Sevilla, E.; Font-Bardía, M.; Messeguer, R.; Calvis, C. Experimental and Theoretical Studies of the Factors Affecting the Cycloplatination of the Chiral Ferrocenylaldimine (SC)-[(Η5-C5H5)Fe[(Η5-C5H4)-C(H)=N-CH(Me)(C6H5)]]. Inorganics 2014, 2 (4), 620–648. https://doi.org/10.3390/inorganics2040620.

(145)    Lentijo, S.; Expósito, J. E.; Aullón, G.; Miguel, J. A.; Espinet, P. Highly Fluorescent Complexes with 3-Isocyanoperylene and N-(2,5-Di-Tert-Butylphenyl)-9-Isocyano-Perylene-3,4-Dicarboximide. Dalton Trans. 2014, 43 (28), 10885–10897. https://doi.org/10.1039/c4dt01016g.

(144)    Julia, F.; Aullón, G.; Bautista, D.; González-Herrero, P. Exploring Excited-State Tunability in Luminescent Tris-Cyclometalated Platinum(IV) Complexes: Synthesis of Heteroleptic Derivatives and Computational Calculations. Chem. – Eur. J. 2014, 20 (52), 17346–17359. https://doi.org/10.1002/chem.201404583.

(143)    Jover, J.; Spuhler, P.; Zhao, L.; McArdle, C.; Maseras, F. Toward a Mechanistic Understanding of Oxidative Homocoupling: The Glaser-Hay Reaction. Catal. Sci. Technol. 2014, 4 (12), 4200–4209. https://doi.org/10.1039/c4cy00322e.

(142)    Jover, J.; Miloserdov, F. M.; Benet-Buchholz, J.; Grushin, V. V.; Maseras, F. On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides. Organometallics 2014, 33 (22), 6531–6543. https://doi.org/10.1021/om5008743.

(141)    Jover, J.; Maseras, F. Computational Characterization of the Mechanism for Coinage-Metal-Catalyzed Carboxylation of Terminal Alkynes. J. Org. Chem. 2014, 79 (24), 11981–11987. https://doi.org/10.1021/jo501837p.

(140)    Jover, J.; Fey, N. The Computational Road to Better Catalysts. Chem. – Asian J. 2014, 9 (7), 1714–1723. https://doi.org/10.1002/asia.201301696.

(139)    Jover, J. Computational Insights into Nucleophilic Copper-Catalyzed Trifluoromethylation of Aryl Halides. ACS Catal. 2014, 4 (12), 4389–4397. https://doi.org/10.1021/cs500872m.

(138)    Fliedel, C.; Rosa, V.; Santos, C. I. M.; Gonzalez, P. J.; Almeida, R. M.; Gomes, C. S. B.; Gomes, P. T.; Lemos, M. A. N. D. A.; Aullón, G.; Welter, R.; Avilés, T. Copper(Ii) Complexes of Bis(Aryl-Imino)Acenaphthene Ligands: Synthesis, Structure, DFT Studies and Evaluation in Reverse ATRP of Styrene. Dalton Trans. 2014, 43 (34), 13041–13054. https://doi.org/10.1039/c4dt01069h.

(137)    Algarra, A. G.; Aullón, G.; Bernhardt, P. V.; Martínez, M. Computational Insights on the Geometrical Arrangements of Cu(II) with a Mixed-Donor N3S3 Macrobicyclic Ligand. Inorg. Chem. 2014, 53 (1), 512–521. https://doi.org/10.1021/ic402533j.

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(134)    Martínez-Alanis, P. R.; Sánchez Eguía, B. N.; Ugalde-Saldívar, V. M.; Regla, I.; Demare, P.; Aullón, G.; Castillo, I. Copper versus Thioether-Centered Oxidation: Mechanistic Insights into the Non-Innocent Redox Behavior of Tripodal Benzimidazolylaminothioether Ligands. Chem. – Eur. J. 2013, 19 (19), 6067–6079. https://doi.org/10.1002/chem.201203498.

(133)    Lentijo, S.; Aullón, G.; Miguel, J. A.; Espinet, P. Highly Fluorescent Complexes with Gold, Palladium or Platinum Linked to Perylene through a Tetrafluorophenyl Group. Dalton Trans. 2013, 42 (18), 6353–6365. https://doi.org/10.1039/c3dt32843k.

(132)    Jover, J.; Maseras, F. Computational Characterization of a Mechanism for the Copper-Catalyzed Aerobic Oxidative Trifluoromethylation of Terminal Alkynes. Chem. Commun. 2013, 49 (89), 10486–10488. https://doi.org/10.1039/c3cc44648d.

(131)    Jover, J.; Fey, N. Screening Substituent and Backbone Effects on the Properties of Bidentate P,P-Donor Ligands (LKB-PPscreen). Dalton Trans. 2013, 42 (1), 172–181. https://doi.org/10.1039/c2dt32099a.

(130)    González, A.; Granell, J.; López, C.; Bosque, R.; Rodríguez, L.; Font-Bardia, M.; Calvet, T.; Solans, X. Hemilabile and Luminescent Palladium(II) Azo-2-Phenylindole Complexes. J. Organomet. Chem. 2013, 726, 21–31. https://doi.org/10.1016/j.jorganchem.2012.11.036.

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(127)    Peigné, B.; Cano, J.; Aullón, G. On the Coordination of Dinitrogen to Group 4 Metallocenes. Eur. J. Inorg. Chem. 2012, No. 5, 797–806. https://doi.org/10.1002/ejic.201100788.

(126)    López, C.; González, A.; Bosque, R.; Basu, P. K.; Font-Bardía, M.; Calvet, T. Platinum(Ii) and Palladium(Ii) Complexes Derived from 1-Ferrocenylmethyl-3, 5-Diphenylpyrazole. Coordination, Cyclometallation or Transannulation? RSC Adv. 2012, 2 (5), 1986–2002. https://doi.org/10.1039/c1ra01080h.

(125)    Jover, J.; Fey, N.; Harvey, J. N.; Lloyd-Jones, G. C.; Orpen, A. G.; Owen-Smith, G. J. J.; Murray, P.; Hose, D. R. J.; Osborne, R.; Purdie, M. Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP). Organometallics 2012, 31 (15), 5302–5306. https://doi.org/10.1021/om300312t.

(124)    Caubet, A.; Bosque, R.; Molins, E.; Barros, F. J.; Luna, F. Study of the Different Behaviour of Thiazolin and Thiazin Indazole Derivatives with Palladium(II) Acetate. J. Organomet. Chem. 2012, 701, 36–42. https://doi.org/10.1016/j.jorganchem.2011.11.034.

(123)    Azani, M.-R.; Castillo, O.; Gallego, M. L.; Parella, T.; Aullõn, G.; Crespo, O.; Laguna, A.; Alvarez, S.; Mas-Ballesté, R.; Zamora, F. The Structural Diversity Triggered by Intermolecular Interactions between Au IS 2 Groups: Aurophilia and Beyond. Chem. – Eur. J. 2012, 18 (32), 9965–9976. https://doi.org/10.1002/chem.201200999.

(122)    Aullón, G.; Laguna, A.; Oliva, J. M. Electronic Structure and Geometries of O-Carborane Derived Cyclic Structures [(μ-1,2-(C2B10H10)nMn)Agm]Z−, M = (Au, Hg), n = (3, 4), m = (0, 1, 2), z = (n − m, −m). J. Chem. Soc. Dalton Trans. 2012, 41 (46), 14146–14150. https://doi.org/10.1039/c2dt31047c.

(121)    Roiban, G.-D.; Serrano, E.; Soler, T.; Aullón, G.; Grosu, I.; Cativiela, C.; Martínez, M.; Urriolabeitia, E. P. Regioselective Orthopalladation of (Z)-2-Aryl-4-Arylidene-5(4 H)-Oxazolones: Scope, Kinetico-Mechanistic, and Density Functional Theory Studies of the C-H Bond Activation. Inorg. Chem. 2011, 50 (17), 8132–8143. https://doi.org/10.1021/ic200564d.

(120)    Fey, N.; Ridgway, B. M.; Jover, J.; McMullin, C. L.; Harvey, J. N. Organometallic Reactivity: The Role of Metal-Ligand Bond Energies from a Computational Perspective. Dalton Trans. 2011, 40 (42), 11184–11191. https://doi.org/10.1039/c1dt10909j.

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(118)    Aullón, G.; Gómez, K.; González, G.; Jansat, S.; Martínez, M.; Poli, R.; Rodríguez-Zubiri, M. Kinetico-Mechanistic Information about Alkene Hydroamination with Aniline in Bromide-Rich Ionic Media: Importance of Solvolysis. Inorg. Chem. 2011, 50 (12), 5628–5636. https://doi.org/10.1021/ic2003222.

(117)    Albert, J.; Bosque, R.; D’Andrea, L.; Granell, J.; Font-Bardia, M.; Calvet, T. Synthesis of Cyclopalladated Derivatives of (E)-N-Benzylidene-2-(2,6- Dichlorophenyl)Ethanamine and Their Reactivity towards Monodentate and Symmetric Bidentate Lewis Bases. Eur. J. Inorg. Chem. 2011, No. 24, 3617–3631. https://doi.org/10.1002/ejic.201100293.

(116)    Talancón, D.; Bosque, R.; López, C. Study of the Effect Induced by the Substituents on the Ring-Chain Tautomerism of Schiff Bases Derived from Norephedrine. J. Org. Chem. 2010, 75 (10), 3294–3300. https://doi.org/10.1021/jo100255k.

(115)    Rosa, V.; Santos, C. I. M.; Welter, R.; Aullón, G.; Lodeiro, C.; Avilés, T. Comparison of the Structure and Stability of New α-Diimine Complexes of Copper(I) and Silver(I): Density Functional Theory versus Experimental. Inorg. Chem. 2010, 49 (19), 8699–8708. https://doi.org/10.1021/ic100450y.

(114)    OnicaǴomez, V.; Corbella, M.; Aulĺon, G. Two Temperature-Independent Spinomers of the Dinuclear Mn(III) Compound [Mn(H2O)(Phen)2(μ-2-ClC6H 4COO)2(μ-O)](ClO4)2. Inorg. Chem. 2010, 49 (4), 1471–1480. https://doi.org/10.1021/ic901719t.

(113)    Oliva, J. M.; Schleyer, P. V. R.; Aullón, G.; Burgos, J. I.; Fernández-Barbero, A.; Alkorta, I. On the Electronic Structure and Stability of Icosahedral R-X 2Z10H12 and Z12H122- Clusters; R = Ortho, Meta, Para, X = C, Si, Z = B, Al. Phys. Chem. Chem. Phys. 2010, 12 (19), 5101–5108. https://doi.org/10.1039/b924322d.

(112)    McMullin, C. L.; Jover, J.; Harvey, J. N.; Fey, N. Accurate Modelling of Pd(0) + PhX Oxidative Addition Kinetics. Dalton Trans. 2010, 39 (45), 10833–10836. https://doi.org/10.1039/c0dt00778a.

(111)    Jover, J.; Fey, N.; Purdie, M.; Lloyd-Jones, G. C.; Harvey, J. N. A Computational Study of Phosphine Ligand Effects in Suzuki-Miyaura Coupling. J. Mol. Catal. Chem. 2010, 324 (1–2), 39–47. https://doi.org/10.1016/j.molcata.2010.02.021.

(110)    Jover, J.; Fey, N.; Harvey, J. N.; Lloyd-Jones, G. C.; Orpen, A. G.; Owen-Smith, G. J. J.; Murray, P.; Hose, D. R. J.; Osborne, R.; Purdie, M. Expansion of the Ligand Knowledge Base for Monodentate P-Donor Ligands (LKB-P). Organometallics 2010, 29 (23), 6245–6258. https://doi.org/10.1021/om100648v.

(109)    Butters, M.; Harvey, J. N.; Jover, J.; Lennox, A. J.; Lloyd-Jones, G. C.; Murray, P. M. Aryl Trifluoroborates in Suzuki-Miyaura Coupling: The Roles of Endogenous Aryl Boronic Acid and Fluoride. Angew. Chem. – Int. Ed. 2010, 49 (30), 5156–5160. https://doi.org/10.1002/anie.201001522.

(108)    Albert, J.; Bosque, R.; Crespo, M.; Granell, J.; Rodríguez, J.; Zafrilla, J. Platinum-Mediated C-H Bond Activation of Arene Solvents and Subsequent C-C Bond Formation. Organometallics 2010, 29 (20), 4619–4627. https://doi.org/10.1021/om100743z.

(107)    Lappert, M. F.; Alvarez, S.; Aullon, G.; Fandos, R.; Otero, A.; Rodriguez, A.; Rojas, S.; Terreros, P. Reactivity of a Super-Electron-Rich Olefin Derived from Cyclam. Eur. J. Inorg. Chem. 2009, No. 13 SPEC. ISS., 1851–1860. https://doi.org/10.1002/ejic.200801113.

(106)    Jover, J.; Bosque, R.; Sales, J. Quantitative Structure-Property Relationship Estimation of Cation Binding Affinity of the Common Amino Acids. J. Phys. Chem. A 2009, 113 (15), 3703–3708. https://doi.org/10.1021/jp810391z.

(105)    Harvey, J. N.; Jover, J.; Lloyd-Jones, G. C.; Moseley, J. D.; Murray, P.; Renny, J. S. The Newman-Kwart Rearrangement of O-Aryl Thiocarbamates: Substantial Reduction in Reaction Temperatures through Palladium Catalysis. Angew. Chem. – Int. Ed. 2009, 48 (41), 7612–7615. https://doi.org/10.1002/anie.200903908.

(104)    Crespo, O.; Gimeno, M. C.; Laguna, A.; Ospino, I.; Aullón, G.; Oliva, J. M. Organometallic Gold Complexes of Carborane. Theoretical Comparative Analysis of Ortho, Meta, and Para Derivatives and Luminescence Studies. Dalton Trans. 2009, No. 19, 3807–3813. https://doi.org/10.1039/b820803d.

(103)    Carrasco, R.; Aullón, G.; Alvarez, S. X-X through-Cage Bonding in Cu, Ni, and Cr Complexes with M 3X2 Cores (X = S, As). Chem. – Eur. J. 2009, 15 (2), 536–546. https://doi.org/10.1002/chem.200800914.

(102)    Aullón, G.; Chat, R.; Favier, I.; Font-Bardia, M.; Gómez, M.; Granell, J.; Martínez, M.; Solans, X. Cyclometallation of Amino-Imines on Palladium Complexes. the Effect of the Solvent on the Experimental and Calculated Mechanism. Dalton Trans. 2009, No. 39, 8292–8300. https://doi.org/10.1039/b905134a.

(101)    Aullón, G.; Alvarez, S.; Cao, R.; Ortiz, M.; Díaz-García, A. M. Substitution of Chloride by Nitrosyl Ligand in a Scorpionate Ruthenium(III) Compound: A Theoretical Study. Inorganica Chim. Acta 2009, 362 (12), 4651–4658. https://doi.org/10.1016/j.ica.2009.06.007.

(100)    Aullón, G.; Alvarez, S. Oxidation States, Atomic Charges and Orbital Populations in Transition Metal Complexes. Theor. Chem. Acc. 2009, 123 (1–2), 67–73. https://doi.org/10.1007/s00214-009-0537-9.

(99)    Rosa, V.; Avilés, T.; Aullon, G.; Covelo, B.; Lodeiro, C. A New Bis(1-Naphthylimino)Acenaphthene Compound and Its Pd(II) and Zn(II) Complexes: Synthesis, Characterization, Solid-State Structures and Density Functional Theory Studies on the Syn and Anti Isomers. Inorg. Chem. 2008, 47 (17), 7734–7744. https://doi.org/10.1021/ic800790u.

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(97)    Maganas, D.; Kyritsis, P.; Aullón, G.; Alvarez, S. Ligands That Enforce Unnatural Stereospinomers. Dalton Trans. 2008, No. 17, 2235–2237. https://doi.org/10.1039/b802462f.

(96)    López, C.; González, A.; Moya, C.; Bosque, R.; Solans, X.; Font-Bardía, M. Cyclopalladation of 3-Methoxyimino-2-Phenyl-3H-Indoles. J. Organomet. Chem. 2008, 693 (17), 2877–2886. https://doi.org/10.1016/j.jorganchem.2008.05.043.

(95)    Jover, J.; Bosque, R.; Sales, J. QSPR Prediction of pKa for Benzoic Acids in Different Solvents. QSAR Comb. Sci. 2008, 27 (5), 563–581. https://doi.org/10.1002/qsar.200710095.

(94)    Jover, J.; Bosque, R.; Sales, J. QSPR Prediction of pK for Aliphatic Carboxylic Acids and Anilines in Different Solvents. QSAR Comb. Sci. 2008, 27 (10), 1204–1215. https://doi.org/10.1002/qsar.200810049.

(93)  Jover, J.; Bosque, R.; Sales, J. A Comparison of the Binding Affinity of the Common Amino Acids with Different Metal Cations. Dalton Trans. 2008, No. 45, 6441–6451. https://doi.org/10.1039/b805860a.

(92)  Jover, J.; Bosque, R.; Martinho Simões, J. A.; Sales, J. Estimation of Enthalpies of Formation of Organometallic Compounds from Their Molecular Structures. J. Organomet. Chem. 2008, 693 (7), 1261–1268. https://doi.org/10.1016/j.jorganchem.2008.01.021.

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(89)  Jover, J.; Bosque, R.; Sales, J. Neural Network Based QSPR Study for Predicting pKa of Phenols in Different Solvents. QSAR Comb. Sci. 2007, 26 (3), 385–397. https://doi.org/10.1002/qsar.200610088.

(88)  García, M. E.; García-Vivó, D.; Ruiz, M. A.; Alvarez, S.; Aullón, G. Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy- and Methoxycarbyne Ligands. 2. Synthesis, Structure, and Bonding of 32- and 34-Electron Complexes. Organometallics 2007, 26 (24), 5912–5921. https://doi.org/10.1021/om700735g.

(87)  Fernández, G.; Corbella, M.; Aullón, G.; Maestro, M. A.; Mahía, J. New Dinuclear MnIII Compounds with 2-MeC6H 4COO and 2-FC6H4COO Bridges – Effect of Terminal Monodentate Ligands (H2O, ClO4- and NO3-) on the Magnetic Properties. Eur. J. Inorg. Chem. 2007, No. 9, 1285–1296. https://doi.org/10.1002/ejic.200600708.

(86)  Fandos, R.; Hernández, C.; Otero, A.; Pastor, C.; Terreros, P.; Aullón, G.; Álvarez, S. Chelating Dialkoxide Titanium Complex: A Versatile Building Block for the Construction of Heterometallic Derivatives. Chem. – Eur. J. 2007, 13 (10), 2831–2836. https://doi.org/10.1002/chem.200601480.

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(84)  Diez, V.; Cuevas, J. V.; García-Herbosa, G.; Aullón, G.; Charmant, J. P. H.; Carbayo, A.; Muñoz, A. 1H NMR Direct Observation of Enantiomeric Exchange in Palladium(II) and Platinum(II) Complexes Containing N,N′ Bidentate Aryl-Pyridin-2-Ylmethyl-Amine Ligands. Inorg. Chem. 2007, 46 (2), 568–577. https://doi.org/10.1021/ic061060u.

(83)  Benavente, R.; Espinet, P.; Martín-Álvarez, J. M.; Miguel, J. A.; Aullón, G. Genuine Examples of Tetrahedral Tetradentate Sulfide Ligand Bridging Four Pd Atoms: Controlled Formation of [(Μ4-S)(Μ2-X) Pd2(C∧N)22] (X = OH or Cl; HC∧N = p-C2H5OC6H4CH=NC6H 4-p-C2H5) Complexes. Inorg. Chem. 2007, 46 (6), 2035–2040. https://doi.org/10.1021/ic061367t.

(82)  Aullón, G.; Alvarez, S. On the Existence of Molecular Palladium(VI) Compounds: Palladium Hexafluoride. Inorg. Chem. 2007, 46 (7), 2700–2703. https://doi.org/10.1021/ic0623819.

(81)  Otero-Calvi, A.; Aullon, G.; Alvarez, S.; Montero, L. A.; Stohrer, W.-D. Bonding and Solvation Preferences of Nickel Complexes [Ni(S2PR2)2] (R=H, Me, OMe) According a Natural Bond Orbital Analysis. J. Mol. Struct. THEOCHEM 2006, 767 (1–3), 37–41. https://doi.org/10.1016/j.theochem.2006.04.039.

(80)  Marshall, W. J.; Aullón, G.; Alvarez, S.; Dobbs, K. D.; Grushin, V. V. “To Bend or Not to Bend?” Both! The Planar and Bent Structures of [(Ph3P)4Rh2(μ-F)2]. Eur. J. Inorg. Chem. 2006, No. 17, 3340–3345. https://doi.org/10.1002/ejic.200600523.

(79)  López, C.; Bosque, R.; Pérez, S.; Roig, A.; Molins, E.; Solans, X.; Font-Bardía, M. Relationships between 57Fe NMR, Mössbauer Parameters, Electrochemical Properties and the Structures of Ferrocenylketimines. J. Organomet. Chem. 2006, 691 (3), 475–484. https://doi.org/10.1016/j.jorganchem.2005.09.020.

(78)  Aullón, G.; Gorun, S. M.; Alvarez, S. Effects of Tris(Pyrazolyl)Borato Ligand Substituents on Dioxygen Activation and Stabilization by Copper Compounds. Inorg. Chem. 2006, 45 (9), 3594–3601. https://doi.org/10.1021/ic0519279.

(77)  Aullón, G.; Bernhardt, P. V.; Bozoglián, F.; Font-Bardía, M.; Macpherson, B. P.; Martínez, M.; Rodríguez, C.; Solans, X. Isomeric Distribution and Catalyzed Isomerization of Cobalt(III) Complexes with Pentadentate Macrocyclic Ligands. Importance of Hydrogen Bonding. Inorg. Chem. 2006, 45 (21), 8551–8562. https://doi.org/10.1021/ic060720s.

(76)  Gómez, M.; Jansat, S.; Muller, G.; Aullón, G.; Maestro, M. A. Ruthenium Complexes Containing Chiral N-Donor Ligands as Catalysts in Acetophenone Hydrogen Transfer – New Amino Effect on Enantioselectivity. Eur. J. Inorg. Chem. 2005, No. 21, 4341–4351. https://doi.org/10.1002/ejic.200500515.

(75)  Bosque, R.; Maseras, F. A Theoretical Assessment of the Thermodynamic Preferences in the Cyclopalladation of Amines. Eur. J. Inorg. Chem. 2005, No. 20, 4040–4047. https://doi.org/10.1002/ejic.200500158.

(74)  Bosque, R.; Crespo, M.; Evangelio, E.; Font-Bardía, M.; Solans, X. Oxidative Addition to Dimethylplatinum (II) Compounds Containing Bulky Nitrogen Ligands: Crystal Structures of Compounds [PtMe3I(Me 2NCH2CH2NCH)Ar] (Ar = Phenanthryl or Anthryl). J. Organomet. Chem. 2005, 690 (8 SPEC. ISS.), 2062–2070. https://doi.org/10.1016/j.jorganchem.2004.12.017.

(73)  Álvarez, S.; Aullón, G.; Fandos, R.; Fierro, J. L. G.; Ocón, P.; Otero, A.; Rojas, S.; Terreros, P. A Pyrimidine Thiolate Rh(I) Complex: Structure, Bonding and One-Dimensional Interactions in Solid and in Solution. Dalton Trans. 2005, No. 5, 938–944. https://doi.org/10.1039/b416038j.

(72)  Pérez, S.; López, C.; Caubet, A.; Bosque, R.; Solans, X.; Bardía, M. F.; Roig, A.; Molins, E. Novel Five-Membered Pallada- and Platinacycles Containing a [C(Sp 2, Ferrocene), N, S]- Terdentate Ligand. Theoretical Interpretation of Their Electrochemical and Electronic Properties Based on Density Functional Calculations. Organometallics 2004, 23 (2), 224–236. https://doi.org/10.1021/om030520d.

(71)  Jover, J.; Bosque, R.; Sales, J. Determination of Lithium Cation Basicity from Molecular Structure. J. Chem. Inf. Comput. Sci. 2004, 44 (5), 1727–1736. https://doi.org/10.1021/ci0498362.

(70)  Jover, J.; Bosque, R.; Sales, J. Determination of Abraham Solute Parameters from Molecular Structure. J. Chem. Inf. Comput. Sci. 2004, 44 (3), 1098–1106. https://doi.org/10.1021/ci049943w.

(69)  Brown, E. C.; Aboelella, N. W.; Reynolds, A. M.; Aullón, G.; Alvarez, S.; Tolman, W. B. A New Class of (μ-Η2:Η2-Disulfido) Dicopper Complexes: Synthesis, Characterization, and Disulfido Exchange. Inorg. Chem. 2004, 43 (11), 3335–3337. https://doi.org/10.1021/ic049811k.

(68)  Aullón, G.; Hamidi, M.; Lledós, A.; Alvarez, S. Chalcogen-Chalcogen Bonds in Edge-Sharing Square-Planar D8 Complexes. Are They Possible? Inorg. Chem. 2004, 43 (12), 3702–3714. https://doi.org/10.1021/ic034906s.

(67)  Aullón, G.; Esquius, G.; Lledós, A.; Maseras, F.; Pons, J.; Ros, J. Unexpected Influence of the Counteranion in the Κ2 vs Κ3 Hapticity of Polydentate N-Donor Ligands in [Rh I(N-Ligand)L2]+ Complexes. Organometallics 2004, 23 (23), 5530–5539. https://doi.org/10.1021/om049766o.

(66)  Aullón, G.; Alvarez, S. Formation of Sulfur-Sulfur Bonds in Copper Complexes. Eur. J. Inorg. Chem. 2004, No. 22, 4430–4438. https://doi.org/10.1002/ejic.200400206.

(65)  Mas-Ballesté, R.; Aullón, G.; Champkin, P. A.; Clegg, W.; Mégret, C.; González-Duarte, P.; Lledós, A. The Evolution of [Ph2P(CH2)nPPh 2Pt(μ-S)2PtPh2P(CH2) nPPh2] (n = 2, 3) Metalloligands in Protic Acids: A Cascade of Sequential Reactions. Chem. – Eur. J. 2003, 9 (20), 5023–5035. https://doi.org/10.1002/chem.200304983.

(64)  López, C.; Bosque, R.; Arias, J.; Evangelio, E.; Solans, X.; Font-Bardía, M. Activation of σ(C-H) Bonds of [Fe(Η5-C5 H4)-C(Me)=N-N=C(H)(C6H3-2,6-R) 2] (with R=Cl or H) Promoted by Palladium(II). J. Organomet. Chem. 2003, 672 (1–2), 34–42. https://doi.org/10.1016/S0022-328X(03)00137-2.

(63)  Bosque, R.; Sales, J.; Bosch, E.; Rosés, M.; García-Alvarez-Coque, M. C.; Torres-Lapasió, J. R. A QSPR Study of the p Solute Polarity Parameter to Estimate Retention in HPLC. J. Chem. Inf. Comput. Sci. 2003, 43 (4), 1240–1247. https://doi.org/10.1021/ci0340660.

(62)  Bosque, R.; Sales, J. A QSPR Study of O-H Bond Dissociation Energy in Phenols. J. Chem. Inf. Comput. Sci. 2003, 43 (2), 637–642. https://doi.org/10.1021/ci025632e.

(61)  López, C.; Caubet, A.; Pérez, S.; Bosque, R.; Solans, X.; Font-Bardía, M. Synthesis, x-Ray Crystal Structure and Solution Behaviour of [Zn(Η5-C5h5)Fe[(Η5 -C5h4)-Ch=n-(Ch2)3 -Nme2]Cl2]. Polyhedron 2002, 21 (23), 2361–2367. https://doi.org/10.1016/S0277-5387(02)01181-6.

(60)  López, C.; Caubet, A.; Bosque, R.; Solans, X.; Font-Bardia, M. Palladium(II) Induced Preferential Activation of the σ(Csp3-H) versus the σ(Csp2, Ferrocene-H) Bond of (Sc)-[(Η5-C5H5)Fe. J. Organometalic Chem. 2002, 645 (1–2), 146–151. https://doi.org/10.1016/S0022-328X(01)01353-5.

(59)  Bosque, R.; Sales, J. Polarizabilities of Solvents from the Chemical Composition. J. Chem. Inf. Comput. Sci. 2002, 42 (5), 1154–1163. https://doi.org/10.1021/ci025528x.

(58)  Aullón, G.; Ruiz, E.; Alvarez, S. Theoretical Clues to the Mechanism of Dioxygen Formation at the Oxygen-Evolving Complex of Photosystem II. Chem. – Eur. J. 2002, 8 (11), 2508–2515. https://doi.org/10.1002/1521-3765(20020603)8:11<2508::AID-CHEM2508>3.0.CO;2-A.

(57)  Aullón, G.; Lledós, A.; Alvarez, S. Hexakis(Silyl)Palladium(VI) or Palladium(II) with Η2-Disilane Ligands? Angew. Chem. – Int. Ed. 2002, 41 (11), 1956–1959. https://doi.org/10.1002/1521-3773(20020603)41:11<1956::aid-anie1956>3.0.co;2-%23.

(56)  Aullón, G.; Capdevila, M.; Clegg, W.; González-Duarte, P.; Lledós, A.; Mas-Ballesté, R. First Evidence of Fast S-H ··· S Proton Transfer in a Transition Metal Complex. Angew. Chem. – Int. Ed. 2002, 41 (15), 2776–2778. https://doi.org/10.1002/1521-3773(20020802)41:15<2776::AID-ANIE2776>3.0.CO;2-0.

(55)  Aullón, G.; Alvarez, S. Molecular Structure and Isomerization in Square-Planar Edge-Sharing Dinuclear Complexes with Alkynyl Bridges. Organometallics 2002, 21 (13), 2627–2634. https://doi.org/10.1021/om0110181.

(54)  Albert, J.; Bosque, R.; Magali Cadena, J.; Delgado, S.; Granell, J.; Muller, G.; Ordinas, J. I.; Bardia, M. F.; Solans, X. Synthesis, Resolution, and Reactivity of Benzylmesitylphenylphosphine: A New P-Chiral Bulky Ligand. Chem. – Eur. J. 2002, 8 (10), 2279–2287. https://doi.org/10.1002/1521-3765(20020517)8:10<2279::aid-chem2279>3.0.co;2-%23.

(53)  Simons, R. S.; Galat, K. J.; Bradshaw, J. D.; Youngs, W. J.; Tessier, C. A.; Aullón, G.; Alvarez, S. Reaction Chemistry, NMR Spectroscopy, and X-Ray Crystallography of [Fe2(μ-SiMe2)2(CO)4] and [Fe2(μ-SiMeCl)2(CO)4]. Electronic Structure and Bonding in Fe2E2 Rings of [Fe2(μ-ER2)2(CO)4] Binuclear Complexes (E=C, Si, Ge, Sn, Pb). J. Organomet. Chem. 2001, 628 (2), 241–254. https://doi.org/10.1016/S0022-328X(01)00790-2.

(52)  Pérez, S.; Bosque, R.; López, C.; Solans, X.; Font-Bardia, M. Trans-Influences in Mononuclear Cyclopalladated Compounds Containing a σ(Pd-Csp2, Ferrocene) Bond. X-Ray Crystal Structures of [Pd[(Η5-C5H3)-CH=N-CH2-C 6H5]Fe(Η5-C5H 5)(X)(PPh3)] with X-=Br- and I-. J. Organomet. Chem. 2001, 625 (1), 67–76. https://doi.org/10.1016/S0022-328X(00)00900-1.

(51)  López, C.; Bosque, R.; Solans, X.; Font-Bardia, M. Factors Affecting the Lability of the Pd-N Bonds in Palladacycles Containing a σ(Pd-Csp2, Ferrocene) Bond. X-Ray Crystal Structures of [Pd[(Η5-C5H3)-C(Me)=N-R]Fe (Η5-C5H5)C1(L)]. Polyhedron 2001, 20 (9–10), 987–994. https://doi.org/10.1016/S0277-5387(01)00739-2.

(50)  Bosque, R.; Sales, J. A QSPR Study of the 31P NMR Chemical Shifts of Phosphines. J. Chem. Inf. Comput. Sci. 2001, 41 (1), 225–232. https://doi.org/10.1021/ci000458k.

(49)  Bosque, R.; Benito, M.; López, C. Influence of Substituents on the Electrochemical Properties of Nine-Membered Palladacycles of General Formula [Pd[(R1 C=CR2)2(Η5-C5H3C (R3)=NR4)]Fe(Η5-C5H 5)Cl]. New J. Chem. 2001, 25 (6), 827–833. https://doi.org/10.1039/b101338f.

(48)  Aullón, G.; Alvarez, S. Theoretical Study of Bonding, Structure, and Vibrational Spectra of the [Fe2(CO)8]2- Anion and Its Derivatives. Organometallics 2001, 20 (5), 818–826. https://doi.org/10.1021/om000548e.

(47)  Aullón, G.; Alvarez, S. The [M2(CO)8] Complexes of the Cobalt Group. Eur. J. Inorg. Chem. 2001, No. 12, 3031–3038. https://doi.org/10.1002/1099-0682(200112)2001:12<3031::AID-EJIC3031>3.0.CO;2-D.

(46)  Aullón, G.; Alvarez, S. Molecular Structures of Edge-Sharing Square-Planar Dinuclear Complexes with Unsaturated Bridges. Inorg. Chem. 2001, 40 (19), 4937–4946. https://doi.org/10.1021/ic010286o.

(45)  Albert, J.; Bosque, R.; Magali Cadena, J.; Delgado, S.; Granell, J. Optically Active Cyclopalladated Compounds Containing P-Chiral Ligands. Restricted Rotation around the Pd-P Bond. J. Organomet. Chem. 2001, 634 (1), 83–89. https://doi.org/10.1016/S0022-328X(01)01111-1.

(44)  Albert, J.; Bosque, R.; Granell, J.; Tavera, R. A High-Yield Method of Synthesis of the Acetato Bridged Endo-Cyclopalladated Dimer of Benzyl-Benzylidene-Amine. Polyhedron 2001, 20 (26–27), 3225–3229. https://doi.org/10.1016/S0277-5387(01)00931-7.

(43)  Palacios, A. A.; Aullón, G.; Alemany, P.; Alvarez, S. Through-Ring Bonding in Edge Sharing Dimers of Octahedral Complexes. Inorg. Chem. 2000, 39 (15), 3166–3175. https://doi.org/10.1021/ic000017i.

(42)  Bosque, R.; Maseras, F. Performance of the Semiempirical PM3 (Tm) Method in the Geometry Optimization of Transition Metal Complexes. J. Comput. Chem. 2000, 21 (7), 562–571. https://doi.org/10.1002/(SICI)1096-987X(200005)21:7<562::AID-JCC5>3.0.CO;2-0.

(41)  Aullón, G.; Lledós, A.; Alvarez, S. Structural Correlations and Conformational Preference in Edge-Sharing Binuclear D8 Complexes with XR2 Bridges. A Theoretical Study. Inorg. Chem. 2000, 39 (5), 906–916. https://doi.org/10.1021/ic991268y.

(40)  Albert, J.; Bosque, R.; Granell, J.; Tavera, R. Cyclometallation of Anthracen-9-Ylmethylene-Phenyl-Amine by Palladium(II) Compounds. J. Organomet. Chem. 2000, 595 (1), 54–58. https://doi.org/10.1016/S0022-328X(99)00567-7.

(39)  Albert, J.; Bosque, R.; Cadena, J. M.; Granell, J. R.; Muller, G.; Ordinas, J. I. Synthesis and Resolution of Benzylisopropylphenylphosphine, a Monodentate P-Chiral Ligand. Tetrahedron Asymmetry 2000, 11 (16), 3335–3343. https://doi.org/10.1016/S0957-4166(00)00300-1.

(38)  Renkema, K. B.; Bosque, R.; Streib, W. E.; Maseras, F.; Eisenstein, O.; Caulton, K. G. Phosphine Dissociation Mediates C-H Cleavage of Fluoroarenes by OsH(C6H5) (CO) (P(t)Bu2Me)2. J. Am. Chem. Soc. 1999, 121 (47), 10895–10907. https://doi.org/10.1021/ja990523a.

(37)  Marchal, S.; Moreno, V.; Aullón, G.; Alvarez, S.; Quirós, M.; Font-Bardia, M.; Solans, X. Synthesis and Study of Trinuclear Pd(II) and Pt(II) Complexes with 2-Mercaptonicotinic Acid: Crystal and Molecular Structure of [Pd3(Mercaptonicotinic Acid)3Cl3]. Polyhedron 1999, 18 (27), 3675–3682. https://doi.org/10.1016/S0277-5387(99)00303-4.

(36)  Caubet, A.; López, C.; Bosque, R.; Solans, X.; Font-Bardia, M.; Bosque, R. Heterodi- and Heterotrimetallic Compounds Containing Five-Membered Rings and σ(Pd-Csp2, Ferrocene) Bonds. X-Ray Crystal Structure of the Meso-Form of [Pd2Fe[(Η5-C5H3)-C(CH 3)=N-C6H5]2Cl2(PPh 3)2]. Organometallics 1999, 18 (7), 1267–1274. https://doi.org/10.1021/om980834e.

(35)  Aullón, G.; Ujaque, G.; Lledós, A.; Alvarez, S. Edge-Sharing Binuclear D8 Complexes with XR Bridges: Theoretical and Structural Database Study of Their Molecular Conformation. Chem. – Eur. J. 1999, 5 (5), 1391–1410. https://doi.org/10.1002/(sici)1521-3765(19990503)5:5<1391::aid-chem1391>3.3.co;2-3.

(34)  Alvarez, S.; Palacios, A. A.; Aullón, G. Ligand Orientation Effects on Metal-Metal, Ligand-Ligand and Metal-Ligand Interactions. Coord. Chem. Rev. 1999, 185–186, 431–450. https://doi.org/10.1016/s0010-8545(99)00027-2.

(33)  López, C.; Bosque, R.; Solans, X.; Font-Bardia, M. Influence of the Electronic Effects of Phosphine Ligands upon the Properties of Cyclopalladated Complexes Containing a. New J. Chem. 1998, 22 (9), 977–982. https://doi.org/10.1039/a801737i.

(32)  Bosque, R.; López, C. Palladium (II) Compounds Containing Mono- and Bidentate Primary Ferrocenylamines. a Study of the Cyclopalladation of: [ (Η5-C5H5)Fe (Η5-C5H4)- (CH2)n-NH2] (with N=1 or 2). Polyhedron 1998, 18 (1–2), 135–143. https://doi.org/10.1016/S0277-5387(98)00276-9.

(31)  Bosque, R. Inertness of the Aryl-F Bond toward Oxidative Addition to Osmium and Rhodium Complexes: Thermodynamic or Kinetic Origin? J. Am. Chem. Soc. 1998, 120 (48), 12634–12640. https://doi.org/10.1021/ja9824573.

(30)  Aullón, G.; Ujaque, G.; Lledós, A.; Alvarez, S.; Alemany, P. To Bend or Not to Bend: Dilemma of the Edge-Sharing Binuclear Square Planar Complexes of D8 Transition Metal Ions. Inorg. Chem. 1998, 37 (4), 804–813. https://doi.org/10.1021/ic9713386.

(29)  Aullón, G.; Bellamy, D.; Brammer, L.; Bruton, E. A.; Orpen, A. G. Metal-Bound Chlorine Often Accepts Hydrogen Bonds. Chem. Commun. 1998, No. 6, 653–654. https://doi.org/10.1039/a709014e.

(28)  López, C.; Bosque, R.; Solans, X.; Font-Bardí, M. Stereochemical Rigidity in a Trimetallic Complex. X-Ray Crystal Structure of Trans-[Pd(Η5-C5H5)Fe[(Η5-C5H4)-CH=N-N(CH3) 2]2Cl2]. J. Organomet. Chem. 1997, 535 (1–2), 99–105. https://doi.org/10.1016/S0022-328X(96)06945-8.

(27)  López, C.; Bosque, R.; Solans, X.; Font-Bardí, M. Palladium(II) Compounds Containing σ[Pd-Csp2 (Ferrocene)] Bonds and Ferrocenyloximes as Bidentate C N-Ligands x-Ray Crystal Structure of [Pd[(Η5-C5H3)-C(CH3)=N(OH)]Fe(Η5-C5H5)Cl(PPh3)]. J. Organomet. Chem. 1997, 539 (1–2), 99–107. https://doi.org/10.1016/S0022-328X(97)00030-2.

(26)  López, C.; Bosque, R.; Solans, X.; Font-Bardia, M. Activation of σ(C-H) Bonds in Ferrocenylhydrazones Derived from Acetylferrocene. J. Organomet. Chem. 1997, 547 (2), 309–317. https://doi.org/10.1016/S0022-328X(97)00388-4.

(25)  López, C.; Bosque, R.; Sainz, D.; Solans, X.; Font-Bardía, M. A New Reagent for Chiral Recognition Containing a Five-Membered Palladacycle with a σ(Pd-Csp2,Ferrocene) Bond. Organometallics 1997, 16 (15), 3261–3266. https://doi.org/10.1021/om970098z.

(24)  Bosque, R.; Maseras, F.; Eisenstein, O.; Patel, B. P.; Yao, W.; Crabtree, R. H. Site Preference Energetics, Fluxionality, and Intramolecular M-H⋯H-N Hydrogen Bonding in a Dodecahedral Transition Metal Polyhydride. Inorg. Chem. 1997, 36 (24), 5505–5511. https://doi.org/10.1021/ic970084l.

(23)  Bosque, R.; Caubet, A.; López, C.; Espinosa, E.; Molins, E. Syntheses, Characterization and Study of the Properties of Heterobimetallic Compounds Containing Ferrocenyl Units X-Ray Crystal Structure of: [Zn(Η5-C5H5)Fe[(Η5-C5H4)-CH=N-CH2-CH2-N(CH3)2]Cl2]. J. Organomet. Chem. 1997, 544 (2), 233–241. https://doi.org/10.1016/S0022-328X(97)00298-2.

(22)  Aullón, G.; Alvarez, S. Pyramidality Effect on Metal-Metal Single Bonds. J. Chem. Soc. – Dalton Trans. 1997, No. 15, 2681–2687. https://doi.org/10.1039/a702022h.

(21)  Aullón, G.; Alvarez, S. Chain Conformation and Metal ··· Metal Contacts in Dimers and Stacks of D8-ML4 Complexes: Electronic Effects. Chem. – Eur. J. 1997, 3 (4), 655–664. https://doi.org/10.1002/chem.19970030422.

(20)  López, C.; Bosque, R.; Solans, X.; Font-Bardia, M. Syntheses and Characterization of Optically Active Cyclopalladated Compounds Containing Ferrocenyl Units. Tetrahedron Asymmetry 1996, 7 (9), 2527–2530. https://doi.org/10.1016/0957-4166(96)00325-4.

(19)  Lopez, C.; Bosque, R.; Solans, X.; Font-Bardia, M. Steric Effects in Ferrocenylketimines and Aldimines. X-Ray Crystal Structures of [(Η5-C5H5)Fe(Η5-C 5H4)-C(C6H5)=N-R1], R1 = C6H4-4-CH3 or C6H4-2-CH3. New J. Chem. 1996, 20 (12), 1285–1292.

(18)  López, C.; Bosque, R. Mono- and Bis(Cyclopalladation) of the Bis(Ferrocenylimine) [(Η5-C5H5)Fe(Η5-C5H4)-CH=N-(C6H3-2-CH3)-]2. J. Organomet. Chem. 1996, 524 (1–2), 247–252. https://doi.org/10.1016/S0022-328X(96)06404-2.

(17)  Hartwig, J. F.; Muhoro, C. N.; He, X.; Eisenstein, O.; Bosque, R.; Maseras, F. Catecholborane Bound to Titanocene. Unusual Coordination of Ligand σ-Bonds. J. Am. Chem. Soc. 1996, 118 (44), 10936–10937. https://doi.org/10.1021/ja962086v.

(16)  Bosque, R.; López, C.; Sales, J. Substituent Effects on the Electrochemical Behaviour of Iron(II) in Schiff Bases Derived from Ferrocene and Their Cyclopalladated Compounds. Inorganica Chim. Acta 1996, 244 (1), 141–145. https://doi.org/10.1016/0020-1693(95)04744-1.

(15)  Bosque, R.; López, C.; Sales, J.; Solans, X.; Silver, J. A Bis(Cyclopalladated) Tetranuclear Derivative of Methyl Ferrocenyl Ketone Azine: [Pd[(Η5-C5H5)Fe(Η5-C 5H3)CMe=N]Cl(PPh3)2]. J. Chem. Soc. – Dalton Trans. 1996, No. 15, 3195–3200. https://doi.org/10.1039/DT9960003195.

(14)  Aullón, G.; Alvarez, S. Axial Bonding Capabilities of Square Planar D8-ML4 Complexes. Theoretical Study and Structural Correlations. Inorg. Chem. 1996, 35 (11), 3137–3144. https://doi.org/10.1021/ic951643w.

(13)  Aullón, G.; Alemany, P.; Alvarez, S. On the Existence of a Pyramidality Effect in D8⋯d8 Contacts. Theoretical Study and Structural Correlation. Inorg. Chem. 1996, 35 (17), 5061–5067. https://doi.org/10.1021/ic951423i.

(12)  Novoa, J. J.; Aullón, G.; Alemany, P.; Alvarez, S. On the Bonding Nature of the M•••M Interactions in Dimers of Square-Planar Pt(II) and Rh(I) Complexes. J. Am. Chem. Soc. 1995, 117 (27), 7169–7171. https://doi.org/10.1021/ja00132a016.

(11)  López, C.; Bosque, R.; Solans, X.; Font-Bardía, M.; Silver, J.; Fern, G. Palladium(II)-Induced Preferential Activation of the σ[Csp2(Phenyl)-Cl] Bond versus σ[Csp2(Ferrocene)-H]. Crystal Structure of [Fe(Η5-C5H5)Η5-C 5H4CH2N=CH(C6H3Cl 2-2,6)]. J. Chem. Soc. Dalton Trans. 1995, No. 24, 4053–4058. https://doi.org/10.1039/DT9950004053.

(10)  López, C.; Bosque, R.; Solans, X.; Font-Bardía, M.; Silver, J.; Fern, G. Alkyne Insertions into the σ-Pd-C(Sp2, Ferrocene) Bond of Cyclopalladated Complexes Containing Schiff Bases Derived from Ferrocene. Crystal Structures of [Pd[(EtC=CEt)2(Η5-C5H 3CR=NCH2Ph)]Fe(Η5-C5H 5)Cl] (R = H or Me). J. Chem. Soc. Dalton Trans. 1995, No. 11, 1839–1849. https://doi.org/10.1039/DT9950001839.

(9)  Bosque, R.; López, C.; Sales, J. Schiff Bases Derived from Aminomethylferrocene and Their Cyclopalladated Derivatives. J. Organomet. Chem. 1995, 498 (2), 147–154. https://doi.org/10.1016/0022-328X(95)05511-M.

(8)  Bosque, R.; López, C.; Sales, J.; Tramuns, D.; Solans, X. Activation of σ(C-H) Bonds in Ferrocenyl- and Bis(Ferrocenyl)-Imines Promoted by Palladium. J. Chem. Soc. Dalton Trans. 1995, No. 14, 2445–2452. https://doi.org/10.1039/DT9950002445.

(7)  López, C.; Bosque, R.; Solans, X.; Font-Bardía, M.; Tramuns, D.; Fern, G.; Silver, J. Effects of the Nature of the Nitrogen Donor Atom (Sp2 versus Sp3) upon the Properties and Chemistry of Palladated Complexes with σ(Pd-Csp2, Ferrocene) Bonds. J. Chem. Soc. Dalton Trans. 1994, No. 20, 3039–3046. https://doi.org/10.1039/DT9940003039.

(6)  Bosque, R.; López, C.; Sales, J.; Solans, X. Schiff Bases Derived from Benzoylferrocene and Their Cyclopalladated Derivatives. X-Ray Crystal Structure of [P d(Η5-C5H5) Fe[(Η5-C5H3)C(C6H5)NC6H5] Cl(PPh3)]. J. Organomet. Chem. 1994, 483 (1–2), 61–71. https://doi.org/10.1016/0022-328X(94)87148-5.

(5)  Bosque, R.; López, C.; Sales, J.; Solans, X.; Font-Bardía, M. Influences of the Substituents at the Iminic Carbon Atoms (Hydrogen versus Methyl) upon the Properties of Ferrocenylimines and Their Cyclopalladated Derivatives. J. Chem. Soc. Dalton Trans. 1994, No. 5, 735–745. https://doi.org/10.1039/DT9940000735.

(4)  Bosque, R.; Font-Bardía, M.; López, C.; Sales, J.; Silver, J.; Solans, X. Electronic Conjugation Pathways in Ferrocenyl Schiff Bases. J. Chem. Soc. Dalton Trans. 1994, No. 5, 747–752. https://doi.org/10.1039/DT9940000747.

(3)  Aullón, G.; Alemany, P.; Alvarez, S. Through-Ring Bonding in Edge-Sharing Dimers of Square Planar Complexes. J. Organomet. Chem. 1994, 478 (1–2), 75–82. https://doi.org/10.1016/0022-328X(94)88159-6.

(2)  Bosque, R.; Granell, J.; Sales, J.; Font-Bardía, M.; Solans, X. Reactivity of Cyclometallated Compounds of N-Benzylideneamines. Synthesis and X-Ray Crystal Structure of [Pd1-CH2-2-(CHN-C6H5)-3,5-(CH3 )2C6H2 (2,4-Me2C5H3N)]ClO4. J. Organomet. Chem. 1993, 453 (1), 147–154. https://doi.org/10.1016/0022-328X(93)80340-H.

(1)   Aullón, G.; Alvarez, S. Pyramidality Effect on Rh(II)-Rh(II) Single Bonds. Inorg. Chem. 1993, 32 (17), 3712–3719. https://doi.org/10.1021/ic00069a028.