Dr. David Casanovadavid.casanova@ehu.eus David Casanova Casas is presently Ikerbasque researcher at the University of the Basque Country and at the Donostia International Physics Center. Currently, his research interests mainly focus on the development and implementation of electronic structure methods for the study of molecular excited states, the computational study of organic cromophores to be employed as molecular sensitizers in Grätzel solar cells, as well as in the development and application of computational tools for the study of the symmetry properties of the molecular electronic structure. Benjamin Peignébenjamin.peigne@qi.ub.es I was born in 1982 in Chartres, France. I studied physics and chemistry at the university of Nantes in France and had a Master degree in molecular chemistry with theoretical chemistry as speciality at the university of Rennes, France. I joined the Electronic Structure Group in september 2006 in order to carry out my PhD thesis on the diatomic molecules complexation and activation by biomimetic systemes under the supervision of Dr. Gabriel AULLÓN. In addition to my interest in computational chemistry, I love cooking and rollerskating. Eduard Cremadeseduard.cremades@gmail.com I am about to finish my PhD thesis in the Electronic Structure Group with Prof. Eliseo Ruiz which I started on 2006. I am interested in single molecule magnets, from polynuclear 3d complexes to mononuclear 3d and lanthanide single ion magnets. Primilary, I work with SIESTA, GAUSSIAN and MOLCAS to compute the exchange coupling constants and anisotropy constants or g tensors. I have been working also with transport calculation through single molecules with SMEAGOL software. Lindley Maxwell Villacorta lindley.maxwell@qi.ub.es I was born in 1984 in Tocopilla Chile and graduated in Chemistry at the University Catholic of north. I’m a member of the Electronic Structure group since 2012. My working of PhD is the synthesis the mononuleares complexes of transition metals with very high magnetic anisotropy. Another line are solid heptazine complex as a ligand with transition metals, in this line ligands derived from the use heptazine to synthesize molecules and type systems MOF with solvothermal synthesis and microwave, under the supervision of Dr. Eliseo Ruiz. In my free time I practice mountaineer, bodyboard and runnig. Andrés Falcetoandres.falceto@qi.ub.es I was born in 1989 in Barbastro, a small city in Aragón (Spain), and got my degree in Chemistry at the University of Barcelona. I became a member of the Electronic Structure group in 2011 where I will start my PhD studies.I have been working on symmetry content of the molecular orbitals for diferent inorganic complexes, under the supervision of Dr. David Casanova and Prof. Santiago Álvarez. I love climbing, and I have traveled all over Catalunya and found lots of lovely places to practice my passion. Dr. Jorge Echeverría jorge.echeverria@qi.ub.es After getting my degree in chemistry from the University of Zaragoza I moved to the University of Barcelona, where I obtained my PhD in 2010 under the supervision of Prof. Santiago Alvarez and thanks to a FPU scholarship. Then, I spent four years as a postdoc in the CEMES-CNRS (Toulouse, France) working with Prof. Christian Joachim in the design and theoretical development of molecular machinery. During my stay in Toulouse I was awarded a Marie Curie fellowship under the Beatriu de Pinós program. In 2015 I moved to the Electronic Structure group of the University of Barcelona, where I am currently a Ramón y Cajal researcher. My research interests are twofold: the study of noncovalent interactions and their implications in materials and crystal design, and on the other hand, the design and conception of single-molecule devices such as switches and rotors with potential applications in nanotechnology. Juan Diego Velasquezjuan.velasquez@qi.ub.edu Alejandro Martín Rodríguezjamrtn92@gmail.com Martín Amozamartin_amoza@hotmail.com
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Dra. Silvia Gómez
Dr. Silvia Gómez silvia.gomez@qi.ub.esInorganic Chemistry DepartmentFacultat de Química Universitat de BarcelonaDiagonal, 645 08028 Barcelona, Spain 0000-0002-2299-4697 SilviaGomezCoca Silvia Gómez Coca obtained her bachelor’s degree in Chemistry (2007) from University of Alicante, and the Master’s degree (2010) and the PhD (2013) in Chemistry at the Inorganic Chemistry Department of the Universitat de Barcelona, under the supervision of Prof. Eliseo Ruiz. Since the PhD she has always combined computational and experimental chemistry. After her PhD, she spent more than three years abroad (2015-2018) as a postdoctoral researcher in the group of Prof. Kim Dunbar at Texas A&M University (USA), and in the group of Dr. Edina Rosta at King’s College London (UK). She performed a couple of months postdoctoral research stay at King’s College London (UK) in the group of Dr. Ismael Diez-Perez. At the end of 2018 she returned to the University of Barcelona with a Beatriu de Pinós postdoctoral fellowship (2018-2021) and she is now Lecturer at the Inorganic and Organic Department. Her main research interests include the fields of molecular magnetism, supramolecular chemistry, molecular electronics and biocatalysis, and she uses inorganic, coordination and computational chemistry as tools to unanswered questions in these fields. Biography & Scientific Curriculum Education Positions Awards, Scholarships Scientific Stays
Dr. Jordi Cirera
Dr. Jordi Cirera jordi.cirera@qi.ub.esInorganic Chemistry DepartmentFacultat de Química Universitat de BarcelonaDiagonal, 645 08028 Barcelona, Spain 0000-0002-9564-9819 j_cirera I was born in Barcelona (1979) and got my degree in chemistry in 2002. In 2006 I obtained my PhD in chemistry working on the interplay between electronic structure and stereochemistry in transition metal complexes under the supervision of Profs. Santiago Alvarez and Eliseo Ruiz. I spent several years in California working on the theoretical modeling of spectroscopic properties of copper metalloproteins and spin-crossover processes in metal-organic frameworks (MOFs). My research interests focus on the study of the electronic structure in spin-crossover systems of varying complexity, from molecules to clusters to condensed phases using different computational tools. I am currently a «Ramon y Cajal» research associate at Universitat de Barcelona.
Prof. Eliseo Ruiz
Prof. Eliseo Ruiz +34 93 4037058eliseo.ruiz@qi.ub.es Inorganic Chemistry DepartmentFacultat de Química Universitat de BarcelonaDiagonal, 645 08028 Barcelona, Spain 0000-0001-9097-8499 eliseoruizsabin Eliseo Ruiz was born in Neuilly-Sur-Seine in 1965 and studied Chemistry (1988) and Physics (1991) in Barcelona where he obtained his PhD in Chemistry with Prof. Santiago Alvarez. He did postdoctoral work at Université de Montréal with Prof. Dennis R. Salahub in 1993-94, was appointed as Associate Professor at the University of Barcelona in 2001 and became Professor of Inorganic Chemistry in 2011. His actual research interests are mainly centered in the use of theoretical methods to study the magnetic and transport properties of inorganic systems. In recent years he has been also involved in the synthesis and characterization of supramolecular, magnetic and bidimensional systems. Furthermore, the work in transport properties has been also extended to the experimental part by using STM breakjunction tecniques. Since 1991 he has been teaching different courses (Inorganic Chemistry, Supramolecular Chemistry, Molecular Electronics, …) in the area of Inorganic Chemistry for graduate and undergraduate students in Chemistry, Physics and Geology. Biography & Scientific Curriculum Education Positions Awards, Scholarships Scientific Stays
Stereochemistry, Bonding and Reactivity of Transition Metal Complexes
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. Bonding and Stereochemistry S. Alvarez. «Coordinating Ability of Anions, Solvents and Gases Towards Ions of Alkaline and alkaline-Earth Metals, Transition Metals, and Lanthanides. Chem. Eur. J., 2020, 26, 4350-4377. doi: 10.1002/chem.201905453. J. D. Velasquez, J. Echeverría, S. Alvarez. “Delocalized Bonding in Li2X2 Frameowrks. Probing the Limits of the Covalent and Ionic Bonding Models”. Inorg. Chem., 2021, 60, 345-356. 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.
All pages
2022 D. M. Gil, J. Echeverría, S. Alvarez. “The Tetramethylammonium Cation: Directionality and Covalency in its Interactions with Halide Ions.” Inorg. Chem., in press M. Pérez-Jiménez, J. Campos, J. Jover, S. Alvarez, E. Carmona. “Supported σ-Complexes of Li‒C Bonds from Coordination of Monomeric Molecules of LiCH3, LiCH2CH3and LiC6H5to Mo≣Mo Bonds.” Angew. Chem. Int. Ed., 2022, 61,e202116009 (10 pages);doi:10.1002/anie.20211600. 2021 A. Pinto, C. Cunha, G. Aullón, J. C. Lima, L. Rodríguez, J. S. Seixas de Melo. «Comprehensive Investigation of the Photophysical Properties of Alkynylcoumarin Gold(I) Complexes”, Journal of Physical Chemistry B, 2021,125, 11751-11760. D. C. Romero, P. Calvo-Gredilla, J. García-Calvo, A. Diez-Varga, J. V. Cuevas, A. Revilla-Cuesta, N. Busto, I. Abajo, G. Aullón, T. Torroba. «Self-Assembly Hydrosoluble Coronenes: A Rich Source of Supramolecular Turn-On Fluorogenic Sensing Materials in Aqueous Media”. Organic Letters, 2021, 23, 8727-8732. J. Cabezas-Giménez, V. Lillo, J. L. Núñez-Rico, M. N. Corella-Ochoa, J. Jover, J. R. Galán-Mascarós, A. Vidal-Ferran. “Differentiation of Epoxide Enantiomers in the Confined Spaces of an Homochiral Cu(II) MOF by Kinetic Resolution”. Chem. Eur. J., 2021, 27,16956-16965. M. Amoza, L. Maxwell, N. Aliaga-Alcalde, S. Gómez-Coca, E. Ruiz. “Spin-Phonon Coupling and Slow-Magnetic Relaxation in Pristine Ferrocenium”. Chem. Eur. J., 2021, 27,16440-16447. V. Kachwal, A. Srivastava, S. Thakar, M. Zubiria-Ulacia, D. Gautam, S. Majumder, K. P. Venkatesh, D. Casanova, R. Chowdhury, N. Rath, S. Mukherjee, P. Alemany, I. R. Laskar. “Engineering a light-driven cyanine based molecular rotor to enhance the sensitivity towards a viscous medium”. Mater. Adv., 2021, 2, 4804-4813. S. Conejeros, B. Guster, P. Alemany, J.-P. Pouget, E. Canadell. “Polymorphism of Layered NbS3”. Chem. Mater., 2021, 33, 5449-5463. A. Abhervé, N. Mroweh, T. Cauchy, F. Pop, H-B. Cui, R. Kato, N. Vanthuyne, P. Alemany, E. Canadell, N. Avarvari. “Conducting chiral nickel(II) bis(dithiolene) complexes: structural and electron transport modulation with the charge and the number of stereogenic centres”. J. Mater. Chem. C, 2021, 9, 4119-4140. S. Saechio, R, Clerac, K. S. Murray, W. Phonsri, E. Ruiz, P. Harding, D. J. Harding. “Nickel(II) salicylaldiminates: Re-visiting a classic”. Polyhedron, 2021, 205, 115321 (5 pages). J. Soldevila-Sanmartin, E. Ruiz, D. Choquesillo-Lazarte, M. E. Light, C. Vinas, F. Teixidor, R. Nunez, J. Pons and J. G. Planas. “Tuning the architectures and luminescence properties of Cu(I) compounds of phenyl and carboranyl pyrazoles: the impact of 2D versus 3D aromatic moieties in the ligand backbone”. J. Mater. Chem. C, 2021, 9, 7643-7657. Z. Setifi, F. Setifi, C. Glidewell, D. M. Gil, A. V. Kletskov, J. Echeverría, M. Mirzaei. “An iron(II) complex of trans, trans, trans-bis(azido)bis(4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole): Insight into molecular and supramolecular structures using Hirshfeld surface analysis and DFT studies”. J. Mol. Struct., 2021, 1235, 130155 (9 pages). S. C. D. Kennington, S. F. Teloxa, M. Mellado-Hidalgo, O. Galeote, S. Puddu, M. Bellido, P. Romea, F. Urpí, G. Aullón, M. Font- Bardia. “Direct and Enantioselective Aldol Reactions Catalyzed by Chiral Nickel(II) Complexes”. Angew. Chem. Int. Ed., 2021, 60, 15307-15312. Open Access. J. González, P. Sevilla, G. Gabarró-Riera, J. Jover, J. Echeverría, S. Fuertes, A. Arauzo, E. Bartolomé, C. Sañudo. “A multifunctional dysprosium-carboxilato 2D metallorganic framework”. Angew. Chem. Int. Ed., 2021, 60, 12001-12006. L. Navarro, F. Rodriguez, J. Cirera. “Controlling the spin-crossover behavior of the [Cr(indenyl)2] family via ligand functionalization”. Dalton Trans., 2021, 50, 8704-8710. L. Rafols, D. Josa, D. Aguilà, L. A. Barrios, O. Roubeau, J. Cirera, V. Soto-Cerrato, R. Pérez-Tomás, M. Martínez, A. Grabulosa, P. Gámez. “Piano-Stool Ruthenium(II) Complexes with Delayed Cytotoxic Activity: Origin of the Lag Time”. Inorg. Chem., 2021, 60(11), 7974-7990. R. Díaz-Torres, J. Echeverría, O. Loveday, P. Harding, D. Harding. “Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(III) complexes”. CrystEngComm., 2021, 23, 4069-4076. O. Loveday, J. Echeverría. “Methyl groups as widespread Lewis bases in noncovalent interactions”. Nature Commun., 2021, 12, 5030 (8 pages). 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. S. Alvarez. “Formas y conformaciones de anillos y clústeres inorgánicos de cuatro átomos. Un estudio estructural mediante medidas continuas de forma”. An. Quím., 2021, 117(3), 219-225. M. Pérez-Jiménez, N. Curado, C. Maya, J. Campos, J. Jover, S. Alvarez, E. Carmona. «Coordination of LiH Molecules to Mo≣Mo Bonds. Experimental and Computational Studies on Mo2LiH2, Mo2Li2H4and Mo6Li9H18Clusters”. J. Am. Chem. Soc., 2021, 143, 5222-5230. M. Pérez-Jiménez, N. Curado, C. Maya, J. Campos, E. Ruiz, S. Alvarez, E Carmona. “Experimental and Computational Studies on Quadruply Bonded Dimolybdenum Complexes with Terminal and Bridging Hydride Ligands”. Chem. Eur. J., 2021, 27, 6569-6578. M. J. Heras Ojea, J. M. Van Raden, S. Louie, R. Collins, D. Pividori, J. Cirera, K. Meyer, R. Jasti, R. A. Layfield. “Spin-Crossover Properties of an Iron(II) Coordination Nanohoop”. Angew. Chem. Int. Ed., 2021, 60(7), 3515-3518. S. K. Karuppannan, A. Martin-Rodriguez, E. Ruiz, P. Harding, D. J. Harding, X. Yu, A. Tadich, B. Cowie, D. Qi, C. A. Nijhuis. “Room temperature conductance switching in a molecular iron(III) spin crossover junction”. Chem. Sci., 2021, 12, 2381-2388. M. Fondo, J. Corredoira-Vazquez, A. M. Garcia-Deibe, J. Sanmartin-Matalobos, S. Gómez-Coca, E. Ruiz and E. Colacio. “Slow magnetic relaxation in dinuclear dysprosium and holmium phenoxide bridged complexes: a Dy2 single molecule magnet with a high energy barrier”. Inorg. Chem. Front., 2021, 8, 2532-2541. J. Echeverría. “Cooperative effects between hydrogen bonds and C=O···S interactions in the crystal structures of sulfoxides”. Cryst. Growth Des., 2021, 21, 2481-2487. M. Amoza, S. Gómez-Coca, E. Ruiz. “Magnetic anisotropy in YbIII complex candidates for molecular qubits: a theoretical analysis”. Phys. Chem. Chem. Phys., 2021, 23, 1976-1983. J. Echeverría. “Intermolecular interactions between thiocyanato ligands in metal complexes”. Cryst. Growth Des., 2021, 21, 1636-1644. A. de Aquino, F. J. Caparrós, G. Aullón, J. S. Ward, K. Rissanen, Y. Jung, J. Choi, J. C. Lima, L. Rodríguez. “Effect of Gold(I) on the Room-Temperature Phosphorescence of Ethynylphenanthrene”. Chem. Eur. J., 2021, 27, 1810-1820. L. Maxwell, H. Martínez, A. Martín-Rodríguez, S. Gómez-Coca, K. Rissanen, E. Ruiz. “Metal−Organic Nanocapsules with Functionalized s‑Heptazine Ligands”. Inorg. Chem., 2021, 60, 570-573. J. D. Velasquez, J. Echeverría, S. Alvarez. “Delocalized Bonding in Li2X2 Frameowrks. Probing the Limits of the Covalent and Ionic Bonding Models”. Inorg. Chem., 2021, 60, 345-356. 2020 A. C. Aragonès, A. Martin-Rodríguez, D. Aravena, J. Puigmartí-Luis, D. B. Amabilino, N. Aliaga-Alcalde, A. Gonzalez-Campo, E. Ruiz and I. Díez-Pérez, “Tuning Single-Molecule Conductance in Metalloporphyrin-Based Wires via Supramolecular Interactions”. Angew. Chem. Int. Ed., 2020, 59, 19193-19201. https://doi.org/10.1002/anie.202007237. M. Fondo, J. Corredoira-Vazquez, A. M. Garcia-Deibe, S. Gomez-Coca, E. Ruiz, J. Sanmartin-Matalobos, ”Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study”. Dalton Trans., 2020, 49, 8389-8401. M. Ferrer, A. Gallen, A. Gutierrez, M. Martinez, E. Ruiz, Y. Lorenz, M. Engeser,” Highly Positively Charged, Allyl-Pd Crowns: Cavity-Pocket-Driven Interactions of Fluoroanions”. Chem. Eur. J., 2020, 26, 7847-7860. D. Aravena, E. Ruiz, “Spin dynamics in single-molecule magnets and molecular qubits”, Dalton Trans., 2020, 49, 9916-992. D. Dulic, A. Rates, E. Castro, J. Labra-Muñoz, D. Aravena, A. Etcheverry-Berrios, D. Riba-López, E. Ruiz, N. Aliaga-Alcalde, M. Soler, L. Echegoyen, H. S. J.