Electronic Structure Group - Stereochemistry, Bonding and Reactivity of Transition Metal Complexes

Created: 29 April 2013

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Reviews

S. Alvarez, E. Ruiz. "Self-Assembly of Coordination Compounds: Design Principles", in Supramolecular Chemistry, From Molecules to Nanomaterials, J. W. Steed, P. A. Gale, eds., John Wiley & Sons, Chichester, UK, 2012, 5, 1993-2044. ISBN 978-0-470-74640-0

E. Ruiz, J. Cirera and S. Alvarez, "Spin density distribution in transition metal complexes", Coord. Chem. Rev. 2005, 249, 2649-2660.

S. Alvarez, "Bonding and stereochemistry of three-coordinated transition metal compounds", Coord. Chem. Rev. 1999, 193-5, 13-41.

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Bonding and Stereochemistry

P. Alemany, A. D'Aléo, M. Giorgi, E. Canadell and F. Fages. "C-H···BF₂O₂ interactions in crystals: a case for boron hydrogen bonding?".Cryst. Growth Des., 2014, 14, 3700-3703.

J. Echeverría, G. Aullón and S. Alvarez. "Dihydrogen Interactions in Group 13 Compounds". Dalton Trans., 2017, 46, 2844-2854. Doi: 10.1039/c6dt02854c. Open access.

M. Ferrer, D. Gómez-Bautista, A. Gutiérrez, G. Orduña-Marco, L. A. Oro, J. J. Pérez-Torrente, O. Rossell and E. Ruiz. "Pyridinethiolate Titanocene Metalloligands and their Self-Assembly Reactions to Yield Early-Late Metallamacrocycles." Organometallics, 2016, 35, 336-345.

R. Hoffmann, S. Alvarez, C. Mealli, A. Falceto, T. J. Cahill, T. Zeng and G. Manca. "From Widely Accepted Concepts in Coordination Chemistry to Inverted Ligand Fields". Chem. Rev., 2016, 116, 8173-8192. Doi: 10.1021/acs.chemrev.6b00251.

A. Falceto, K. H. Theopold and S. Alvarez, "Cr-Cr Quintuple Bonding: Ligand Topology and Interplay Between Metal-Metal and Metal-Ligand Bonding". Inorg. Chem., 2015, 54, 10966-10977. Doi: 10.1021/acs.inorgchem.5b02059, open access.

S. Alvarez, "What do we mean when we talk about bonds". Chem. World, 2015, 12, 36-37.

J. Adhikary, P. Kundu, S. Dasgupta, S. Mukherjee, S. Chattopadhyay, G. Aullón, D. Das, "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, Doi: 10.1016/j.poly.2015.07.055

J. Fernández-Valparís and S. Alvarez. "Design of a Structural Database for Homoleptic Transition Metal Complexes". Struct. Chem., 2015, 26, 1715-1723. Doi:10.1007/s11224-015-0651-3.

A. Falceto, E. Carmona and S. Alvarez. "Electronic and Structural Effects of Low Hapticity Coordination of Arene Rings to Transition Metals". Organometallics 2014, 33, 6660-6668. Doi: 10.1021/om5009583.

A. Falceto, D. Casanova and S. Alvarez. "Distortions of π-coordinated Arenes with Anionic Character". Chem. Eur. J., 2014, 20, 14674-14689.Doi: 10.1002/chem.201403889.

G. Aullón and B. Peigné. "Structural Analysis of the Coordination of Dinitrogen to Transition Metal Complexes”. Acta Cryst., Sect B, 2015, 71, 369-386. Doi: 10.1107/S2052520615006083.

A. Mondragón, M. Flores-Alamo, P. R. Martínez-Alanis, G. Aullón, V. M. Ugalde-Saldívar and I. Castillo. "Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-type NS₂ Aminobis(thiophenolate) Ligand”. Inorg. Chem., 2015, 54, 619−627.

M. Carrasco, I. Mendoza, E. Alvarez, C. Maya, R. Peloso, A. Rodríguez, A. Falceto, S. Alvarez and E. Carmona. "Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl Ligands". Chem. Eur. J., 2015, 21, 410-421. Doi: 10.1002/chem.201404057

L. J. K. Cook, R. Mohammed, G. Sherborne, S. Alvarez and M. Halcrow, “Spin-state Behaviour of Iron(II)Dipyrazolylpyridine Complexes. New Insights from Crystallographic and Solution Measurements". Coord. Chem. Rev., 2015, 289-290, 2-12. Doi: 10.1016/j.ccr.2014.08.006.

C. Fliedel, V. Rosa, C. I. M. Santos, P. J. Gonzalez, R. M. Almeida, C. S. B. Gomes, P. T. Gomes, M. A. N. D. A. Lemos, G. Aullón, R. Welter and T. Avilés, “Synthesis, Structural Characterisation, and Density Functional Theory Studies of Ar-BIAN Cu(II) Complexes: Application in the Reverse Atom-Transfer Radical Polymerisation of Styrene” Dalton Trans., 2014, 43, 13041-13054.

A. G. Algarra, G. Aullón,P. V. Bernhardt, M. Martínez, “Computational Insights on the Chemistry of Cu(II) with a Mixed-donor N₃S₃ Macrobicyclic Ligand” Inorg. Chem., 2014, 53, 512-521.

S. Alvarez, B. Menjón. "Modulation of the Coordination Sphere of f-Element Complexes by Fluorocarbons", highlight, Angew. Chem. Int. Ed., 2014, 53, 2810-2811. Doi 10.1002/anie.201310916.

C. Dryzun, P. Alemany, D. Casanova, D. Avnir. "A Continuous Symmetry Analysis of Chemical Bonding". Chem. Eur. J. 2011, 17, 6129-6141

R. Diaz-Torres and S. Alvarez, "Coordinating ability of anions and solvents towards transition metals and lanthanides", Dalton Trans. 2011, 40, 10742-10750.

J. C. Knight, S. Alvarez, A. J. Amoroso, P. G. Edwards and N. Singh, "A novel bipyridine-based hexadentate tripodal framework with a strong preference for trigonal prismatic co-ordination geometries", Dalton Trans. 2010, 39, 3870-3883.

E. Cremades, J. Echeverría, S. Alvarez. "The Trigonal Prism in Coordination Chemistry". Chem. Eur. J. 2010, 16, 10389-10396

A. Ruiz-Martínez, D. Casanova, S. Alvarez. "Ligand Association/Dissociation Paths and Ill Defined Coordination Numbers". Chem. Eur. J. 2010, 16, 6567-6581

G. Aullon and S. Alvarez, "Oxidation states, atomic charges and orbital populations in transition metal complexes", Theor. Chem. Acc. 2009, 123, 67-73.

A. Ruiz-Martínez, S. Alvarez. “Stereochemistry of Compounds with Coordination Number Ten”. Chem. Eur. J. 2009, 15, 7470-7480

J. Echeverría, E. Cremades, A. J. Amoroso, S. Alvarez. "Jahn-Teller Distortions of Six-coordinate Copper(II) Compounds: Cis or Trans?". Chem. Commun. 2009, 4242-4244

D. Aguila, E. Escribano, S. Speed, D. Talancon, L. Yerman and S. Alvarez, "Calibrating the coordination chemistry tool chest: metrics of bi- and tridentate ligands", Dalton Trans. 2009, 6610-6625.

A. Ruiz-Martínez, D. Casanova, S. Alvarez. "Polyhedral Structures with an Odd Number of Vertices: Nine-Coordinate Metal Compounds". Chem. Eur. J. 2008, 14, 1291-1303

A. Ruiz-Martínez, D. Casanova, S. Alvarez. "Polyhedral Structures with an Odd Number of Vertices: Nine-atom Clusters and Supramolecular Architectures". Dalton Trans., 2008, 2583-2591

B. Cordero, V. Gomez, A. E. Platero-Prats, M. Reves, J. Echeverria, E. Cremades, F. Barragan and S. Alvarez, "Covalent radii revisited", Dalton Trans. 2008, 2832-2838.

G. Aullon and S. Alvarez, "On the existence of molecular palladium(VI) compounds: Palladium hexafluoride", Inorg. Chem. 2007, 46, 2700-2703.

S. Alvarez. "Nesting of Fullerenes and Frank-Kasper Polyhedra". Dalton Trans., 2006, 2045-2051.

D. Casanova, M. Llunell, P. Alemany, S. Alvarez. "The Rich Stereochemistry of Eight-Vertex Polyhedra in Chemistry. A Continuous Shape Measures Study". Chem. Eur. J. 2005, 11, 1479-1494

S. Alvarez. "Polyhedra in (Inorganic) Chemistry". Dalton Trans. 2005, 2209-2233.

G. Aullon and S. Alvarez, "Formation of sulfur-sulfur bonds in copper complexes", Eur. J. Inorg. Chem. 2004, 4430-4438.

E. C. Brown, N. W. Aboelella, A. M. Reynolds, G. Aullon, S. Alvarez and W. B. Tolman, "A new class of (μ-η²:η²-disulfido)dicopper complexes: Synthesis characterization and disulfido exchange", Inorg. Chem. 2004, 43, 3335-3337.

J. Cirera, P. Alemany, S. Alvarez. "Mapping the Stereochemistry and Symmetry of Tetracoordinate Transition Metal Complexes". Chem. Eur. J. 2004, 10, 190-207.

D. Casanova, P. Alemany, J. M. Bofill, S. Alvarez. "Shape and Symmetry of Heptacoordinated Transition Metals: Structural Trends". Chem. Eur. J., 2003, 9, 1281-1295

G. Aullon and S. Alvarez, "Molecular structure and isomerization in square-planar edge-sharing dinuclear complexes with alkynyl bridges", Organometallics 2002, 21, 2627-2634.

G. Aullon, E. Ruiz and S. Alvarez, "Theoretical clues to the mechanism of dioxygen formation at the oxygen-evolving complex of photosystem II", Chem. Eur. J. 2002, 8, 2508-2515.

A. Carvajal, X. Y. Liu, P. Alemany, J. J. Novoa and S. Alvarez, "Ligand effects and dimer formation in dicoordinated copper(I) complexes", Int. J. Quantum Chem. 2002, 86, 100-105.

G. Aullon, A. Lledos and S. Alvarez, "Hexakis(silyl)palladium(VI) or palladium(II) with η²-disilane ligands?" Angew. Chem. Int. Ed. 2002, 41, 1956.

A. A. Palacios, P. Alemany and S. Alvarez, "Structure and bonding in late transition metal dinuclear complexes with local trigonal planar geometries", J. Chem. Soc.. Dalton Trans. 2002, 2235-2243.

G. Aullon and S. Alvarez, "The [M₂(CO)₈] complexes of the cobalt group", Eur. J. Inorg. Chem. 2001, 3031-3038.

G. Aullon and S. Alvarez, "Molecular structures of edge-sharing square-planar dinuclear complexes with unsaturated bridges", Inorg. Chemi. 2001, 40, 4937-4946.

G. Aullon and S. Alvarez, "Theoretical study of bonding, structure, and vibrational spectra of the [Fe₂(CO)₈]^2- anion and its derivatives", Organometallics 2001, 20, 818-826.

G. Aullon, G. Ujaque, A. Lledos and S. Alvarez, "Edge-sharing binuclear d⁸ complexes with XR bridges: Theoretical and structural database study of their molecular conformation", Chem. Eur. J. 1999, 5, 1391-1410.

P. Alemany, J. Llanos and S. Alvarez, "Tetrahedral d⁰ and d¹⁰ transition metal ions sharing edges in the solid state: electronic structure and bonding", J. Chem. Soc. Dalton Trans. 1999, 1235-1240.

A. A. Palacios, P. Alemany and S. Alvarez, "Electronic structure and bonding in tricoordinate amido complexes of transition metals", Inorg. Chem. 1999, 38, 707-715.

G. Aullon, G. Ujaque, A. Lledos, S. Alvarez and P. Alemany, "To bend or not to bend: Dilemma of the edge-sharing binuclear square planar complexes of d⁸ transition metal ions", Inorg. Chem. 1998, 37, 804-813.

J. V. Cuevas, A. A. Palacios and S. Alvarez, "Electronic structure and bonding in the Hoppe anions [Fe₂O₅]^6- and [Co₂O₄]^4-", New J. Chem. 1997, 21, 301-308.

G. Aullon and S. Alvarez, "Axial bonding capabilities of square planar d⁸-ML₄ complexes. Theoretical study and structural correlations", Inorg. Chem. 1996, 35, 3137-3144.

V. Zhukov, F. Boucher, P. Alemany, M. Evain and S. Alvarez, "Electronic-Structure, Chemical Bonding, and Jahn-Teller Distortions in CdPS₃", Inorg. Chem. 1995, 34, 1159-1163.

P. Alemany and R. Hoffmann, "Toroidal Nickel Thiolates - Structure and Bonding", J. Am. Chem. Soc. 1993, 115, 8290-8297.

G. A. Carriedo, N. G. Connelly, S. Alvarez, E. Perezcarreno and S. Garciagranda, "Mixed Valency in Binuclear Cyano-Bridged Manganese Bis(Carbonyl) Complexes and Stereochemical Control of Their Oxidation - a Molecular-Orbital Study", Inorg. Chem. 1993, 32, 272-276.

F. Arnau, F. Mota, J. J. Novoa and S. Alvarez, "On the Existence of a Quadruplet Ground-State for the BO₂ and AiO₂ Molecules", Quantum Chemistry: Basic Aspects, Actual Trends 1989, 62, 377-383.

A. Labarta, E. Molins, X. Vinas, J. Tejada, A. Caubet and S. Alvarez, "Electronic-Structure Determination of Iron(Ii) Phthalocyanine Via Magnetic-Susceptibility and Mössbauer Measurements", J. Chem. Phys. 1984, 80, 444-448.

S. Alvarez and C. Lopez, "Linkage Isomerism in Cyanoaquobis(Dimethyl-Glyoximato)Cobalt(III)", Inorg. Chim. Acta Lett. 1982, 64, L99-L100.

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Van der Waals Interactions

J. Echeverría. "Abundance and Strength of M–H···H–C (M = Al, Ga, In) Dihydrogen Bonds". Cryst. Growth Des. 2017, in press. Doi: 10.1021/acs.cgd.7b00069.

J. Echeverría, G. Aullón and S. Alvarez. "Dihydrogen Interactions in Group 13 Compounds". Dalton Trans., 2017, 46, 2844-2854. Doi: 10.1039/c6dt02854c. Open access.

S. Shaik and S. Alvarez. Reply to "Entropic factors also contribute to the high melting points of polyhedral alkanes". Nature Chem., 2015, 7, 87-90.

J. Vogt, S. Alvarez. "On the Van der Waals Radii of the Noble Gases". Inorg. Chem., 2014, 53, 9260-9266. Doi 10.1021/ic501364h; corrections: Doi 10.1021/ic502140y.

S. Alvarez. "A Cartography of the Van der Waals Territory". Dalton Trans., 2013, 42, 8617.

D. Danovich, S. Shaik, F. Neese, J. Echeverría, G. Aullón, S. Alvarez. "Understanding the Nature of the CH···HC Interaction in Alkanes", J. Chem. Theor. Comput., 2013, 9, 1977.

J. Echeverria, G. Aullon, D. Danovich, S. Shaik and S. Alvarez, "Dihydrogen contacts in alkanes are subtle but not faint", Nature Chem. 2011, 3, 323-330.

A. Ibarz, E. Ruiz and S. Alvarez, "Theoretical study of the guest···guest interactions of cobaltocene intercalated in metal sulfides", J. Chem. Soc. Dalton Trans. 2000, 1463-1467.

G. Aullon, D. Bellamy, L. Brammer, E. A. Bruton and A. G. Orpen, "Metal-bound chlorine often accepts hydrogen bonds", Chem. Commun. 1998, 653-654.

E. Ruiz and S. Alvarez, "Theoretical-Study of Host····Guest Interactions in Clathrates with a Cd(CN)₂ Host", Inorg. Chem. 1995, 34, 5845-5851.

E. Ruiz and S. Alvarez, "Host-Guest Interactions in the Pyrrole and Aniline Hofmann Clathrates - a Theoretical-Study", Inorg. Chem. 1995, 34, 3260-3269.

E. Ruiz and S. Alvarez, "Intercalation of Halogen Molecules in Alkali Fluoride Lattices - a Theoretical-Study", J. Am. Chem. Soc. 1995, 117, 2877-2883.

E. Ruiz, J. J. Novoa and S. Alvarez, "Ab-Initio Study of the Intermolecular Interactions in the Hofmann Clathrates", J. Phys. Chem. 1995, 99, 2296-2306.

E. Ruiz, S. Alvarez, R. Hoffmann and J. Bernstein, "Crystal Orbital Displacement Analysis of Interactions in the Solid-State - Application to the Study of Host-Guest Interactions in the Hofmann Clathrates", J. Am. Chem. Soc. 1994, 116, 8207-8221.

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Metallophilic Interactions

M.-R. Azani, O. Castillo, M. L. Gallego, T. Parella, G. Aullón, O. Crespo, A. Laguna, S Alvarez, R. Mas-Ballesté, F. Zamora. "The structural Diversity Triggered by Intermolecular Interactions between Au^IS₂ groups: Aurophilia and Beyond". Chem. Eur. J., 2012, 18, 9965-9976.

M. A. Carvajal, S. Alvarez and J. J. Novoa, "The nature of the Au^I···Au^I interactions between cationic [AuL₂]⁺ complexes in the solid state", Theor. Chem. Acc. 2006, 116, 472-479.

S. Alvarez, G. Aullon, R. Fandos, J. L. G. Fierro, P. Ocon, A. Otero, S. Rojas and P. Terreros, "A pyrimidine thiolate Rh(I) complex: structure, bonding and one-dimensional interactions in solid and in solution", Dalton Trans. 2005, 938-944.

M. A. Carvajal, S. Alvarez and J. J. Novoa, "The nature of intermolecular Cu^I···Cu^I interactions: A combined theoretical and structural database analysis", Chem. Eur. J. 2004, 10, 2117-2132.

A. Buljan, M. Llunell, E. Ruiz and P. Alemany, "Color and conductivity in Cu₂O and CuAlO₂: A theoretical analysis of d¹⁰···d¹⁰ interactions in solid-state compounds", Chem. Mater. 2001, 13, 338-344.

G. Aullon and S. Alvarez, "Chain conformation and metal···metal contacts in dimers and stacks of d⁸-ML₄ complexes: Electronic effects", Chem. Eur. J. 1997, 3, 655-664.

G. Aullon, P. Alemany and S. Alvarez, "On the existence of a pyramidality effect in d⁸···d⁸ contacts. Theoretical study and structural correlation", Inorg. Chem. 1996, 35, 5061-5067.

J. J. Novoa, G. Aullon, P. Alemany and S. Alvarez, "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, 7169-7171.

S. Alvarez, P. Alemany, G. Aullon, A. A. Palacios and J. J. Novoa, "Heterodox bonding effects between transition metal atoms", Synergy between Dynamics and Reactivity at Clusters and Surfaces 1995, 465, 241-255.

M. Corbella, S. Alvarez and J. Ribas, "Synthesis, Characterization and Study of the Pt-Pt Interaction in Cis-[(Aa)(Bb)FCr-NC-Pt(CN)₃] (Aa, Bb = Bidentate Amine)", Inorg. Chim. Acta 1986, 121, 13-17.

Y. Jiang, S. Alvarez and R. Hoffmann, "Binuclear and Polymeric Gold(I) Complexes", Inorg. Chem. 1985, 24, 749-757.

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Delocalized Bonding

R. Carrasco, G. Aullon and S. Alvarez, "X-X Through-Cage Bonding in Cu, Ni, and Cr Complexes with M₃X₂ Cores (X = S, As)", Chem. Eur. J. 2009, 15, 536-546.

S. Alvarez, R. Hoffmann and C. Mealli, "A Bonding Quandary -or- A Demonstration of the Fact That Scientists Are Not Born With Logic", Chem. Eur. J. 2009, 15, 8358-8373.

J. Poater, J. M. Bofill, P. Alemany and M. Sola, "Local aromaticity of the lowest-lying singlet states of [n]acenes (n=6-9)", J. Phys. Chem. A 2005, 109, 10629-10632.

G. Portella, J. Poater, J. M. Bofill, P. Alemany and M. Sola, "Local Aromaticity of [n]acenes, [n]phenacenes, and [n]helicenes (n=1-9)", J. Org. Chem. 2005, 70, 2509-2521.

G. Aullon, M. Hamidi, A. Lledos and S. Alvarez, "Chalcogen-chalcogen bonds in edge-sharing square-planar d⁸ complexes. Are they possible?" Inorg. Chem. 2004, 43, 3702-3714.

R. S. Simons, K. J. Galat, J. D. Bradshaw, W. J. Youngs, C. A. Tessier, G. Aullon and S. Alvarez, "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, 241-254.

X. Y. Liu, A. A. Palacios, J. J. Novoa and S. Alvarez, "Framework bonding and coordination sphere rearrangement in the M₂X₂ cores of synthetic analogues of oxyhemocyanin and related Cu and Pt complexes", Inorg. Chem. 1998, 37, 1202-1212.

G. Aullon, P. Alemany and S. Alvarez, "Through-Ring Bonding in Edge-Sharing Dimers of Square-Planar Complexes", J. Organomet. Chem. 1994, 478, 75-82.

P. Alemany and S. Alvarez, "Bonding and Structure in L₄M₂(μ-XR_n)₂ Diamonds of Tetrahedral d¹⁰ Ions - Effect of Substituents on the M···M Interaction", Inorg. Chem. 1992, 31, 4266-4275.

C. Lopez, S. Alvarez, X. Solans and M. Fontaltaba, "Structural, NMR and Theoretical-Study of Delocalization in Cobaloximes", Inorg. Chim. Acta 1986, 111, L19-L21.

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Stereo-spin Isomerism

C. Fliedel, V. Rosa, A. Falceto, P. Rosa, S. Alvarez and P. Braunstein, "Substituent Effects in N-(thioether)-Functionalized Bis(Diphenylphosphino)amine-type Ligands on the Coordination Sphere of Iron(II) Complexes: Structures, Magnetism and Bonding". Inorg. Chem., 2015, 54, 6547-6559. Doi: 10.1021/acs.inorgchem.5b00834.

S. Canton, X. Zhang, L. Lawson Daku, Y. Liu, J. Zhang and S. Alvarez. "Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order". J. Phys. Chem. C. 2015, 119, 3322-3330. Doi:10.1021/jp5117189.

J. Cirera, S. Alvarez. “Stereo-spin Isomerism in Pentacoordinate Iron Porphyrin Complexes: The case of [Fe(porphyrinato(CN)]^- Systems”, Dalton Trans. 2013, 42, 7002.

V. Gomez, M. Corbella and G. Aullon, "Two Temperature-Independent Spinomers of the Dinuclear Mn^III Compound [{Mn(H₂O)(phen)}₂(µ₂-ClC₆H₄COO)₂(µ-O)](ClO₄)₂", Inorg. Chem. 2010, 49, 1471-1480.

J. Cirera, E. Ruiz and S. Alvarez, "Stereochemistry and spin state in four-coordinate transition metal compounds", Inorg. Chem. 2008, 47, 2871-2889.

D. Maganas, P. Kyritsis, G. Aullon and S. Alvarez, "Ligands that enforce unnatural stereospinomers", Dalton Trans. 2008, 2235-2237.

F. Pointillart, C. Train, F. Villain, C. C. D. Moulin, P. Gredin, L. M. Chamoreau, M. Gruselle, G. Aullon, S. Alvarez and M. Verdaguer, "Six-fold oxygen-coordinated triplet (S=1) palladium(II) moieties templated by tris(bipyridine)ruthenium(II) ions", J. Am. Chem. Soc. 2007, 129, 1327-1334.

J. Cirera, E. Ruiz and S. Alvarez, "Shape and spin state in four-coordinate transition-metal complexes: The case of the d⁶ configuration", Chem. Eur. J. 2006, 12, 3162-3167.

S. Alvarez and J. Cirera, "How high the spin? Allowed and forbidden spin states in transition-metal chemistry", Angew. Chem. Int. Ed. 2006, 45, 3012-3020.

E. Ruiz, J. Cirera and S. Alvarez, "Spin density distribution in transition metal complexes", Coord. Chem. Rev. 2005, 249, 2649-2660.

J. Cano, E. Ruiz, S. Alvarez and M. Verdaguer, "Spin density distribution in transition metal complexes: Some thoughts and hints", Comments Inorg. Chem. 1998, 20, 27-56.

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Metal-metal Bonding

A. Falceto and S. Alvarez. "Comparison of the Cr-Cr quadruple and quintuple bonding mechanisms". The Chemical Bond II, 100 Years Old and Getting Stronger: Struct. Bond., 2016, 170, 249-264. Doi: 10.1007/430_2015_191.

M. Carrasco, N. Curado, E. Álvarez, C. Maya, R. Peloso, M. L. Poveda, A. Rodriguez, E. Ruiz, S. Alvarez, E. Carmona, "Experimental and Theoretical Studies on Arene-Bridged Metal-Metal-Bonded Dimolybdenum Complexes", Chem. Eur. J. 2014, 20, 6092-6102.

M. Carrasco, N. Curado, C. Maya, R. Peloso, A. Rodríguez, E. Ruiz, S. Alvarez, E. Carmona. "Interconversion of Quadruply- and Quintuply-Bonded Dimolybdenum Complexes by Reductive Elimination and Oxidative Addition Reactions of Dihydrogen", Angew. Chem. Int. Ed. 2013, 52, 3227.

G. Aullon and S. Alvarez, "Pyramidality effect on metal-metal single bonds", J. Chem. Soc. Dalton Trans. 1997, 2681-2687.

X. Y. Liu and S. Alvarez, "M₂L₆ complexes with triple Mo-Mo and W-W bonds: Molecular topology and inverted pyramidality effect", Inorg. Chem. 1997, 36, 1055-1060.

F. Mota, J. J. Novoa, J. Losada, S. Alvarez, R. Hoffmann and J. Silvestre, "Pyramidality and Metal-Metal Multiple Bonding - Structural Correlations and Theoretical-Study", J. Am. Chem. Soc. 1993, 115, 6216-6229.

A. W. E. Chan, R. Hoffmann and S. Alvarez, "Electronic-Structure of a [Tc₂(μ-O)₃Cp]_n Polymer with a Very Short Metal-Metal Bond", Inorg. Chem. 1991, 30, 1086-1093.

J. Losada, S. Alvarez, J. J. Novoa, F. Mota, R. Hoffmann and J. Silvestre, "The Large Range of Cr-Cr Quadruple Bond Distances - Structural and Theoretical-Analysis", J. Am. Chem. Soc. 1990, 112, 8998-9000.

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