2021 Publications

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.