2017 Publications A. C. Aragonès, D. Aravena, F. J. Valverde-Muñoz, J. A. Real, F. Sanz, I. Díez-Pérez and E. Ruiz. «Metal-Controlled Magnetoresistance at Room Temperature in Single-Molecule Devices». J. Am. Chem. Soc., 2017, 139, 5768-5778. G. Brunet, D. A. Safin, J. Jover, E. Ruiz and M. Murugesu. «Single-molecule magnetism arising from cobalt(ii) nodes of a crystalline sponge». J. Mater. Chem. C, 2017, 5, 835-841. K. Muñoz-Becerra, D. Aravena, E. Ruiz, E. Spodine, N. Soto-Donoso, V. Paredes-García and D. Venegas-Yazigi. «Models to predict the magnetic properties of single- and multiple-bridged phosphate CuII systems: a theoretical DFT insight». Inorg. Chem. Front., 2017, 4, in press.Doi: 10.1039/C6QI00394J. M. Vega, J. Llanos, P. Alemany, I. R. Martín. «Structural properties, Judd – Ofelt calculations, and near infrared to visible photon up-conversion in Er3+/Yb3+/doped BaTiO3 phosphors under excitation at 1500 nm». RSC Adv., 2017, 7, 10529-10538. P. Alam, S. Dash, C. Climent, G. Kaur, A. R. Choudhury, D. Casanova, P. Alemany, R. Choudhury and I. R. Laskar. «Aggregation Induced Emission. Active Iridium(III) Complexes with Applications in Mitochondrial Staining». RSC Adv.,2017, 7, 5642-5648. 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. G. Aullón, P. Romea and F. Urpí. «Substrate-Controlled Aldol Reactions from Chiral α-Hydroxy Ketones». Synth. 2017, 49, 484-503. Doi: 10.1055/s-0036-1588888. 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. S. Purkait, G. Aullón, E. Zangrando and P. Chakraborty. «Group 12 metal complexes of (2-piperazine-1-ylethyl)-pyridin-2-yl-methylene-amine: rareparticipation of terminal piperazine N in coordination leads to structural diversity» Dalton Trans., 2017, 46, 2184-2195. Doi: 10.1039/c6dt04578b. A. Gómez-Palomino, M. Pellicena, K. Krämer, P. Romea, F. Urpí, G. Aullón and J. M. Padrón. «Total synthesis of (+)-herboxidiene/GEX 1A», Org. Biomol. Chem., 2017, 15, 1842-1862. Doi: 10.1039/c7ob00072c. 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. N. Curado, M. Carrasco, J. Campos, C. Maya, R. Peloso, A. Rodríguez, E. Ruiz, S. Alvarez and E. Carmona. «An Unsaturated Four-Coordinate Dimethyl Dimolybdenum Complex with a Molybdenum-Molybdenum Quadruple Bond». Chem. Eur. J., 2017, 23, 194-205. Doi: 10.1002/chem.201604618.
Chronological list of publications
2019
2019 Publications S. C. D. Kennington, A. J. Taylor, P. Romea, F. Urpí, G. Aullón, M.Font-Bardia, L. Ferré,J. Rodrigalvarez. «Direct and Asymmetric Nickel(II)-Catalyzed Construction of Carbon-Carbon Bonds from N‐Acyl Thiazinanethiones», Org. Lett., 2019, 21, 305-309.
2020
2020 Publications 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. van der Zant, “Single-Molecule Transport of Fullerene-Based Curcuminoids” J. Phys. Chem. C, 2020, 124, 2698-2704. R. Silva, R. Santos, M. M. Andrade, I. C. Santos, J. T. Coutinho, L. Pereira, J. C. Waerenborgh, B. Vieira, J. Cirera, E. Ruiz, M. Almeida, D. Belo “[Co/Fe(α-Alkyl-tpdt)2]x−: Alkyl-Substituted Cobalt and Iron Bis-dithiolenethiophenic Complexes”, Inorg. Chem., 2020, 59(13), 9261–9269, doi:10.1021/acs.inorgchem.0c01154. J. Cirera, E. Ruiz, “Assessment of the SCAN Functional for Spin-State Energies in Spin-Crossover Systems”, J. Phys. Chem. A, 2020, 124(24), 5053–5058, doi:10.1021/acs.jpca.0c0375. S. Vela, M. Fumanal, J. Cirera, J. Ribas-Ariño, “Thermal spin crossover in Fe (II) and Fe (III). Accurate spin state energetics at the solid state”, Phys. Chem. Chem. Phys., 2020, 22, 4938-4945, doi:10.1039/D0CP00162G. M. Biswas, E. C. Sañudo, J. Cirera, D. Ray “Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core”, New J. Chem., 2020, 44, 4812-4821, doi:10.1039/C9NJ05686F. S. Alvarez. “The Transition from 5f to 4d Elements from a Structural Point of View”. CrystEngComm., 2020, 22, 7229-7232. DOI:10.1039/d0ce00029a. HOT Article. A. Carreras, S. Conejeros, A. Camoń, A. García,N. Casañ-Pastor, P. Alemany, E. Canadell. “Charge Delocalization, Oxidation States, and Silver Mobility in the Mixed Silver-Copper Oxide AgCuO”. Inorg. Chem., 2020, 58, 7026-7035. 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.
2021
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.
2022
2022 Publications Aragonès, A. C.; Aravena, D.; Ugalde, J. M.; Medina, E.; Gutierrez, R.; Ruiz, E.; Mujica, V.; Díez-Pérez, I. ”Magnetoresistive Single-Molecule Junctions: the Role of the Spinterface and the CISS Effect”. Israel Journal of Chemistry 2022, 62, e202200090. Charles, P.; Gaspard, M. E.; Alvarez, S.; Ziegler, M. S.; Baldansuren, A.; Armstrong, W. H.; Lakshmi, K. V.; Bonitatibus, P. J. ”Synthesis, crystal structure, EPR, and DFT studies of an unusually distorted vanadium(ii) complex”. Dalton Transactions 2022, 51, 12031-12036. Corredoira-Vázquez, J.; González-Barreira, C.; Fondo, M.; García-Deibe, A. M.; Sanmartín-Matalobos, J.; Gómez-Coca, S.; Ruiz, E.; Colacio, E. ”Dinuclear Fluoride Single-Bridged Lanthanoid Complexes as Molecule Magnets: Unprecedented Coupling Constant in a Fluoride-Bridged Gadolinium Compound”. Inorganic Chemistry 2022, 61, 9946-9959. De Aquino, A.; Caparrós, F. J.; Aullón, G.; Truong, K. N.; Rissanen, K.; Lima, J. C.; Rodríguez, L. ”Development of gold(i) phosphorescent tweezers for sensing applications”. Dalton Transactions 2022, 51, 16282-16291. De Aquino, A.; Ward, J. S.; Rissanen, K.; Aullón, G.; Lima, J. C.; Rodríguez, L. ”Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds: Impact on the Population of the Triplet Excited State”. Inorganic Chemistry 2022, 61, 20931-20941. Del Horno, E.; Jover, J.; Mena, M.; Pérez-Redondo, A.; Yélamos, C. ”Dinitrogen Binding at a Trititanium Chloride Complex and Its Conversion to Ammonia under Ambient Conditions”. Angewandte Chemie – International Edition 2022. Del Horno, E.; Jover, J.; Mena, M.; Pérez-Redondo, A.; Yélamos, C. ”Low-Valent Titanium Species Stabilized with Aluminum/Boron Hydride Fragments”. Chemistry – A European Journal 2022, 28, e202103085. Dey, B.; Mehta, S.; Mondal, A.; Cirera, J.; Colacio, E.; Chandrasekhar, V. ”Push and Pull Effect of Methoxy and Nitro Groups Modifies the Spin-State Switching Temperature in Fe(III) Complexes”. ACS Omega 2022, 7, 39268-39279. Díaz-Torres, R.; Boonprab, T.; Gómez-Coca, S.; Ruiz, E.; Chastanet, G.; Harding, P.; Harding, D. J. ”Structural and theoretical insights into solvent effects in an iron(iii) SCO complex”. Inorganic Chemistry Frontiers 2022, 9, 5317-5326. Echeverría, J.; Jover, J. ”From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions”. European Journal of Organic Chemistry 2022, 2022, e202101243. Ferrari, P.; Gómez-Coca, S. ”The spin magnetic order of Con+ (n ≤ 5) clusters”. Physical Chemistry Chemical Physics 2022, 24, 23128-23134. Gabarró-Riera, G.; Jover, J.; Rubio Zuazo, J.; Bartolomé, E.; Sañudo, E. C. ”Towards large area surface functionalization with luminescent and magnetic lanthanoid complexes”. Inorganic Chemistry Frontiers 2022, 9, 4160-4170. Gil, D. M.; Echeverría, J.; Alvarez, S. ”Tetramethylammonium Cation: Directionality and Covalency in Its Interactions with Halide Ions”. Inorganic Chemistry 2022, 61, 9082-9095. Li, Z.; Nuñez, R.; Light, M. E.; Ruiz, E.; Teixidor, F.; Viñas, C.; Ruiz-Molina, D.; Roscini, C.; Planas, J. G. ”Water-Stable Carborane-Based Eu3+/Tb3+ Metal−Organic Frameworks for Tunable Time-Dependent Emission Color and Their Application in Anticounterfeiting Bar-Coding”. Chemistry of Materials 2022, 34, 4795-4808. Loveday, O.; Jover, J.; Echeverría, J. ”Anion Binding Based on Hg3Anticrowns as Multidentate Lewis Acidic Hosts”. Inorganic Chemistry 2022, 61, 12526-12533. Mautner, F. A.; Bierbaumer, F.; Fischer, R. C.; Tubau, À.; Speed, S.; Ruiz, E.; Massoud, S. S.; Vicente, R.; Gómez-Coca, S. ”Insights into the Spin Dynamics of Mononuclear Cerium(III) Single-Molecule Magnets”. Inorganic Chemistry 2022, 61, 11124-11136. Navarro, L.; Cirera, J. ”Exploring the computational design of anionic spin-crossover systems”. Inorganic Chemistry Frontiers 2022, 10, 250-258. Pérez-Jiménez, M.; Campos, J.; Jover, J.; Álvarez, S.; Carmona, E. ”Coordination of E-C Bonds (E = Zn, Mg, Al) and the Zn-H Bonds of (C5Me5)ZnH and (C5Me5)ZnZnH across a Quadruply Bonded Dimolybdenum Dihydride Complex”. Organometallics 2022, 41, 3225-3236. Pérez-Jiménez, M.; Campos, J.; Jover, J.; Álvarez, S.; Carmona, E. ”Supported σ-Complexes of Li−C Bonds from Coordination of Monomeric Molecules of LiCH3, LiCH2CH3 and LiC6H5 to Mo≣Mo Bonds”. Angewandte Chemie – International Edition 2022, 61, e202116009. Riba-López, D.; Zaffino, R.; Herrera, D.; Matheu, R.; Silvestri, F.; Ferreira da Silva, J.; Sañudo, E. C.; Mas-Torrent, M.; Barrena, E.; Pfattner, R.; Ruiz, E.; González-Campo, A.; Aliaga-Alcalde, N. ”Dielectric behavior of curcuminoid polymorphs on different substrates by direct soft vacuum deposition”. iScience 2022, 25, 105686. Wu, S. G.; Wang, L. F.; Ruan, Z. Y.; Du, S. N.; Gómez-Coca, S.; Ni, Z. P.; Ruiz, E.; Chen, X. M.; Tong, M. L. ”Redox-Programmable Spin-Crossover Behaviors in a Cationic Framework”. Journal of the American Chemical Society 2022, 144, 14888-14896.