Relevant Publications
P. Alemany, D. Casanova, S. Alvarez, C. Dryzun and D. Avnir. «Continuous Symmetry Measures: A New Tool in Quantum Chemistry». Rev. Comput. Chem., 2017, 30, 289-352. |
S. Alvarez, «Distortion Pathways of Transition Metal Coordination Polyhedra Induced by Chelating Topology». Chem. Rev., 2015, 115, 13447-13483. Doi: 10.1021/acs.chemrev.5b00537. Open access. |
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. |
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 |
S. Alvarez, J. Echeverría. «New Perspectives on Polyhedral Molecules and their Crystal Structures». J. Phys. Org. Chem. 2010, 23, 1080-1087. |
S. Alvarez. «Nesting of Fullerenes and Frank-Kasper Polyhedra». Dalton Trans., 2006, 2045-2051. |
S. Alvarez, P. Alemany, D. Casanova, J. Cirera, M. Llunell, D. Avnir. «Shape Maps and Polyhedral Interconversion Paths in Transition Metal Chemistry». Coord. Chem. Rev.2005, 249, 1693-1708. |
J. Cirera, E. Ruiz, S. Alvarez. «Continuous Shape Measures as a Stereochemical Tool in Organometallic Chemistry». Organometallics 2005, 24, 1556-1562. |
S. Alvarez, P. Alemany, D. Avnir. «Continuous Chirality Measures in Transition Metal Chemistry». Chem. Soc. Rev. 2005, 34, 313-326. |
S. Alvarez. «Polyhedra in (Inorganic) Chemistry». Dalton Trans. 2005, 2209-2233. |
S. Alvarez. «Poliedros y sus distorsiones en la descripción de la estructura molecular y en el diseño de edificios supramoleculares». An. Real Soc. Esp. Quím. 2003, 99, 29-44. |
Symmetry Concepts and Tools
P. Alemany, D. Casanova, S. Alvarez, C. Dryzun and D. Avnir. «Continuous Symmetry Measures: A New Tool in Quantum Chemistry». Rev. Comput. Chem., 2017, 30, 289-352. |
A. Falceto, D. Casanova, P. Alemany, S. Alvarez. «Pseudosymmetry Analysis of the d-block Molecular Orbitals in Four-coordinate Complexes», Inorg. Chem.2013, 52, 6510-6519. |
D. Casanova, P. Alemany, A. Falceto, A. Carreras, S. Alvarez. «Pseudosymmetry Analysis of Molecular Orbitals», J. Comput. Chem. 2013, 34, 1321. |
J. Echeverría, A. Carreras, D. Casanova, P. Alemany, S. Alvarez. «Concurrent Symmetries. The Interplay Between Local and Global Molecular Symmetries». Chem. Eur. J.2011, 17, 359-367. |
S. Alvarez. «How Icosahedral are Icosahedral Clusters?» Inorg. Chim. Acta 2010, 363, 4392-4398. |
M. Pinsky, C. Dryzun, D. Casanova, P. Alemany, D. Avnir, Z. Kizner, A. Sterkin. «Analytical methods for calculating continuous symmetry measures and the chirality measure.» J. Comput. Chem. 2008, 29, 2712-2721. |
M. Pinsky, D. Casanova, P. Alemany, S. Alvarez, D. Avnir, C. Dryzun, Z. Kizner, A. Sterkin. «Symmetry Operation Measures». J. Comput. Chem. 2008, 29, 190-197. |
J. Echeverría, D. Casanova, M. Llunell, P. Alemany, S. Alvarez. «Molecules and Crystals with Both Icosahedral and Cubic Symmetry». Chem. Commun., 2008, Feature Article, 2717-2725. |
Chirality
M. Llunell, P. Alemany, J. M. Bofill. «Narcissistic Reaction Pathways: An Example of Maxwell’s Theorem of Geometrical Optics Applied to the Intrinsic Reaction Coordinate Model». Theor. Chem. Acc. 2008, 121, 279-288. |
S. Alvarez, S. Schefzick, D. Avnir, K. Lipkowitz. «Quantitative Chirality Analysis of Molecular Sub-units of Bis(oxazoline)copper(II) Complexes in Relation to their Enantioselective Catalytic Activity». Chem. Eur. J. 2003, 9, 5832-5837. |
P. Alemany, S. Alvarez, D. Avnir. «Theoretical Evidence of Persistent Chirality in D3 Homoleptic Hexacoordinated Complexes with Monodentate Ligands». Chem. Eur. J.2003, 9, 1952-1957. |
S. Alvarez, D. Avnir. «Continuous Chirality Measures of Tetracoordinate Bis-chelate Metal Complexes». Dalton Trans., 2003, 562-569. |
S. Alvarez, M. Pinsky, M. Llunell, D. Avnir. «Continuous Chirality Analysis of Hexacoordinated Tris-Chelated Complexes». Cryst. Eng. 2001, 4, 179-200. |
S. Alvarez, M. Pinsky, D. Avnir. «A Continuous Chirality Analysis of Homoleptic Hexacoordinated Complexes». Eur. J. Inorg. Chem., 2001, 1499-1503. |
Stereochemistry of Coordination Compounds
S. Alvarez. “Continuous Shape Measures Study of the Coordination Spheres of Actinide Complexes. Part 1: Low Coordination Numbers”. Eur. J. Inorg. Chem., 2021, 3632-3647, open Access. |
I. Sanchez-Lombardo, B. Baruah, S. Alvarez, K. R. Werst, N. A. Segaline, N. E. Levinger and D. C. Crans. «Size and shape trump charge in interactions of oxovanadates with self-assembled interraces: application of continuous shape measure analysis to the decavanadate anion». New J. Chem., 2016, 40, 962-975. Doi: 10.1039/c5nj01788b. |
S. Alvarez, «Distortion Pathways of Transition Metal Coordination Polyhedra Induced by Chelating Topology». Chem. Rev., 2015, 115, 13447-13483. Doi: 10.1021/acs.chemrev.5b00537. Open access. |
S. Alvarez, B. Menjón, A. Falceto, D. Casanova and P. Alemany. «Stereochemistry of Complexes with Double and Triple Metal-Ligand Bonds: A Continuous Shape Measures Analysis». Inorg. Chem. 2014, 53, 12151-12163. Doi: 10.1021/ic5021077. |
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. |
I. Sánchez-Lombardo, S. Alvarez, C. C. McLauchlan and D. C. Crans. «Evaluating Transition State Structures of vanadium-phosphatase protein complexes using shape analysis». J. Inorg. Biochem., 2015, 147, 153-164. Doi:10.1016/j.jinorgbio.2015.04.005. |
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. |
M. Ferrer, A. Gutiérrez, L. Rodríguez, O. Rossell, E. Ruiz, M. Engeser, Y. Lorenz, R. Schilling, P. Gómez-Sal, A. Martín. «Self-Assembly of Heterometallic Metallomacrocycles via Ditopic Fluoroaryl Gold(I) Organometallic Metalloligands», Organometallics 2012, 31, 1533-1545 |
E. Cremades, J. Echeverría, S. Alvarez. «The Trigonal Prism in Coordination Chemistry». Chem. Eur. J. 2010, 16, 10389-10396 |
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 |
J. Cirera, E. Ruiz and S. Alvarez, «Stereochemistry and spin state in four-coordinate transition metal compounds», Inorg. Chem. 2008, 47, 2871-2889. |
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 |
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 |
J. Cirera, P. Alemany, S. Alvarez. «Mapping the Stereochemistry and Symmetry of Tetracoordinate Transition Metal Complexes». Chem. Eur. J. 2004, 10, 190-207. |
S. Alvarez. «Relationships Between Temperature, Magnetic Moment and Continuous Symmetry Measures in Spin Crossover Complexes». J. Am. Chem. Soc., 2003, 125, 6795-6802 |
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 |
S. Alvarez, D. Avnir, M. Llunell, M. Pinsky. «Continuous Symmetry Maps and Shape Classification. The Case of Six-Coordinated Metal Compounds». New J. Chem., 2002, 26, 996-1009 |
S. Alvarez, M. Pinsky, M. Llunell, D. Avnir. «Continuous Chirality Analysis of Hexacoordinated Tris-Chelated Complexes». Cryst. Eng. 2001, 4, 179-200. |
S. Alvarez, M. Pinsky, D. Avnir. «A Continuous Chirality Analysis of Homoleptic Hexacoordinated Complexes». Eur. J. Inorg. Chem., 2001, 1499-1503. |
S. Alvarez, M. Llunell. «Continuous Symmetry Measures of Pentacoordinate Molecules: Berry and non-Berry Distortions of the Trigonal Bipyramid». J. Chem. Soc., Dalton Trans. , 2000, 3288-3303. |
Distortion and Reaction Pathways
S. Alvarez, «Distortion Pathways of Transition Metal Coordination Polyhedra Induced by Chelating Topology». Chem. Rev., 2015, 115, 13447-13483. Doi: 10.1021/acs.chemrev.5b00537. Open access. |
A. Ruiz-Martínez, D. Casanova, S. Alvarez. «Ligand Association/Dissociation Paths and Ill Defined Coordination Numbers». Chem. Eur. J. 2010, 16, 6567-6581 |
D. Casanova, P. Alemany, S. Alvarez. «Polyhedral Interconversion Triggered by Hydrogen Transfer Between an Amine and the [Co(CO)4]- Anion». Angew. Chem., Int. Ed.,2006, 45, 1457-1460 |
D. Casanova, J. Cirera, M. Llunell, P. Alemany, D. Avnir, S. Alvarez. «Minimal Distortion Pathways in Polyhedral Rearrangements». J. Am. Chem. Soc. 2004, 126, 1755-1763 |
Polyhedra in clusters and Solids
I. Sanchez-Lombardo, B. Baruah, S. Alvarez, K. R. Werst, N. A. Segaline, N. E. Levinger and D. C. Crans. «Size and shape trump charge in interactions of oxovanadates with self-assembled interraces: application of continuous shape measure analysis to the decavanadate anion». New J. Chem., 2016, 40, 962-975. Doi: 10.1039/c5nj01788b. |
P. Alemany, I. de P. R. Moreira, R. Castillo, J. Llanos. «Electronic, structural, and optical properties of host materials for inorganic phosphors», J. Alloys Compd.2012, 513, 630-640. |
J. Echeverria and S. Alvarez, «Application of Symmetry Operation Measures in Structural Inorganic Chemistry», Inorg. Chem. 2008, 47, 10965-10970. |
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 |