A. Rodriguez-Fortea, M. Llunell, P. Alemany and E. Canadell. «Factors affecting the magnetic coupling in Sr2V3O9 type oxides: As for V substitution in the VO4 tetrahedra and nature of the cation». Dalton Trans., 2013, 42, 15555-15558. P. Alemany, E. Canadell. «Electronic Conductivity of Solids», in J. Reedijk, K, Poeppelmeier, eds., Comprehensive Inorganic Chemistry II, vol. 9, p 1007-1034; Elsevier: Amsterdam, 2013. ISBN 9780080977744. Doi: 10.1016/B978-0-08-097774-4.00946-3. P. Alam, I. R. Laskar, C. Climent, D. Casanova, P. Alemany, M. Karanam, A. R. Choudhury, J. R. Butcher. «Microwave-assisted facile and expeditive syntheses of phosphorescent cyclometallated iridium(II) complexes». Polyhedron, 2013, 53, 286-294. P. Alemany. «Analyzing the Electronic Structure of Molecules Using Continuous Symmetry Measures». Int. J. Quantum Chem., 2013, 113, 1814-1820. E. Ruiz. «Exchange Coupling in Di- and Polynuclear Complexes», in J. Reedijk, K, Poeppelmeier, eds., Comprehensive Inorganic Chemistry II, vol. 9, p 501-549; Elsevier: Amsterdam, 2013. ISBN 9780080977744. Doi: 10.1016/B978-0-08-097774-4.00922-0. S. Lentijo, G. Aullón, J. A. Miguel, P. Espinet. «Highly fluorescent complexes with gold, palladium or platinum linked to perylene through a tetrafluorophenyl group». Dalton Trans., 2013, 42, 6353-6365. Doi: 10.1039/c3dt32843k. P. R. Martínez-Alanís, B. N. Sánchez-Eguía, V. M. Ugalde-Saldívar, I. Regla, P. Demare, G. Aullón, I. Castillo. «Copper Versus Thioether-Centered Oxidation: Mechanistic Insight into the Non-Innocent Redox Behavior of Tripodal Benzimidazolylaminothioether Ligands». Chem. Eur. J., 2013, 19, 6067-6079. Doi: 10.1002/chem.201203498. J.-L. Liu, W.-Q. Lin, Y.-C. Chen, S. Gómez-Coca, D. Aravena, E. Ruiz, J.-D. Leng, M.-L. Tong, «CuII–GdIII Cryogenic Magnetic Refrigerants and Cu8Dy9 Single-Molecule Magnet Generated by In Situ Reactions of Picolinaldehyde and Acetylpyridine: Experimental and Theoretical Study», Chem. Eur. J. 2013, 19, 17567-17577. D. Aravena, E. Ruiz. «Shedding Light on the Single-Molecule Magnet Behavior of Mononuclear DyIIIComplexes», Inorg. Chem. 2013, 52, 13770-13778. S. Zartilas, C. Papatriantafyllopoulou, T. C. Stamatatos, V. Nastopoulos, E. Cremades, E. Ruiz, G. Christou, C. Lampropoulos, A. J. Tasiopoulos. «A MnII6MnIII6 Single-Strand Molecular Wheel with a Reuleaux Triangular Topology: Synthesis, Structure, Magnetism, and DFT Studies», Inorg. Chem. 2013, 52, 12070-12079. Z. Arcís-Castillo, F. J. Muñoz-Lara, M. C. Muñoz, D. Aravena, A. B. Gaspar, J. F. Sánchez-Royo, E. Ruiz, M. Ohba, R. Matsuda, S. Kitagawa, J. A. Real. «Reversible Chemisorption of Sulfur Dioxide in a Spin Crossover Porous Coordination Polymer», Inorg. Chem. 2013, 52, 12777-12783. J.-D. Leng, J.-L. Liu, W.-Q. Lin, S. Gómez-Coca, D. Aravena, E. Ruiz, M.-L. Tong. «Unprecedented ferromagnetic dipolar interaction in a dinuclear holmium(III) complex: a combined experimental and theoretical study», Chem. Commun. 2013, 49, 9341. S. Gómez-Coca, E. Ruiz. «A density functional theory approach to the magnetic properties of a coupled single-molecule magnet (Mn7)2 complex — An entangled qubit pair candidate», Can. J. Chem. 2013, 91, 866-871. E. Colacio, J. Ruiz, E. Ruiz, E. Cremades, J. Krzystek, S. Carretta, J. Cano, T. Guidi, W. Wernsdorfer, E. K. Brechin. «Slow Magnetic Relaxation in a Co(II)-Y(III) Single-Ion Magnet with Positive Zero-Field Splitting», Angew. Chem. Int. Ed. 2013, 52, 9130-9134. A. Jana, N. Aliaga-Alcalde, E. Ruiz, S. Mohanta. «Structures, magnetochemistry, Spectroscopy, Theorical Study, and Catechol Oxidase Activity of Dinuclear and Dimer-of-Dinuclear Mixed-Valence MnIIIMnII Complexes Derived from a Macrocyclic Ligand», Inorg. Chem. 2013, 52, 7732-7746. Liu, J. Chen, Y. Li, Q. Gómez-Coca, S. Aravena, D. Ruiz, E. Lin, W. Leng, J. Tong,M. «Two 3d-4f nanomagnets formed via a two-step in situ reaction of picolinaldehyde», Chem. Commun. 2013, 49, 6549. E. Cremades, C. Pemmaraju, S. Samvito, E. Ruiz. «Spin-polarized transport through single-molecule magnet Mn6complexes», Nanoscale. 2013, 5, 4751. S. Gómez-Coca, E. Cremades, N. Aliaga-Alcalde, E. Ruiz. «Mononuclear Single-Molecules Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes», J. Am. Chem. Soc. 2013, 135, 7010-7018. A. Ako, B. Burguer, Y. Lan, V. Mereacre, R. Clérac, G. Buth, S. Gómez-Coca, E. Ruiz, C. Anson, A. Powell. «Magnetic interactions Mediated by Diamagnetic Cations in [Mn18M] (M= Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters.» Inorg. Chem., 2013, 52, 5764-5774. A. Ako, Y. Lan, V. Mereacre, E. Ruiz, D. Aravena, C. Anson, A. Powell. » Spins on a curved surface: an FeIII14ferracalixarene», Dalton Trans. 2013, 42, 9606. S. Alvarez. «A Cartography of the Van der Waals Territory». Dalton Trans., 2013, 42, 8617. 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. 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. 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. Cirera, S. Alvarez. “Stereo-spin Isomerism in Pentacoordinate Iron Porphyrin Complexes: The case of [Fe(porphyrinato(CN)]– Systems”, Dalton Trans. 2013, 42, 7002. X. Bao, W. Liu, J.-L. Liu, S. Gómez-Coca, E. Ruiz, M.-L. Tong. “Self-Assembly of Pentanuclear Mesocate versus Octanuclear Helicate: Size Effect of the [MII2(μ3-O/X)]n+ Triangle Core”, Inorg. Chem. 2013, 52, doi:10.1021/ic3024056. Publications 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2000 to 2005 1995 to 1999 1990 to 1994 1982 to 1989 All Pages
Chronological list of publications
2014
S. Conejeros, I. de P. R. Moreira, P. Alemany and E. Canadell. «Nature of Holes, Oxidation States and Hypervalency in Covellite (CuS)». Inorg. Chem., 2014, 53, 12402-12406. W. Kaddour, H. Raffy, M. Monteverde, P. Auban-Senzier, J.-P. Pouget, C. R. Pasquier, P. Alemany, E. Canadell and L. Valade. «Charge density wave – metal coexistence in the quasi-one dimensional organic conductor TTF[Ni(dmit)2]2«. Phys. Rev. B, 2014, 90, 205132. P. Alam, G. Singh, C. Climent, S. Pasha, D. Casanova, P. Alemany, A. R. Choudhury and I. R. Laskar. «New Aggregation Induced Emission (AIE) Active Cyclometalated Iridium(III) Based Phosphorescent Sensors: High Sensitivity for Mercury(II) Ions». Dalton Trans., 2014, 43, 16431-16440. C. Climent, P. Alemany, D. Lee, J. Kim and D. Casanova. «Optical properties of 4-bromobenzaldehyde derivatives in chloroform solution». J. Phys. Chem. A, 2014, 118, 6914-6921 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. P. Alam, P. Das, C. Climent, K. Karanam, D. Casanova, A. R. Choudhury, P. Alemany, N. R. Jana and I. R. Laskar. «Facile Tuning of the Aggregation Induced Emission Wavelength in a Common Framework of a Cyclometalated Iridium(III) Complex: Micellar Encapsulated Probe in Cellular Imaging». J. Mater. Chem. C, 2014, 2, 5615-5628. P. Alemany, J. P. Pouget and E. Canadell. «Electronic structure and anion ordering in (TMTSF)2ClO4 and (TMTSF)2NO3: a first principles study». Phys. Rev. B, 2014, 89, 155124. V. Laukhin, A. Audouard, D. Vignolles, L. Drigo, P. Alemany and E. Canadell. «Fermi surface and effect of high magnetic fields on the metal semimetal Peierls-like transition of (TSeT)2Cl». Low Temp. Phys., 2014, 307-310. A. Lorbach, E. Maverick, A. Carreras, P. Alemany, G. Wu, M. A. Garcia-Garibay and G. C. Bazan. “A Fullerene-Carbene Adduct as a Crystalline Molecular Rotor: Remarkable Behavior of a Spherically-Shaped Rotator” Phys. Chem. Chem. Phys., 2014, 16, 12980-12986. J. Jover and N. Fey. “The computational road to better catalysts”. Chem. Asian J., 2014, 9, 1714-1723. P. Seth, A. Figuerola, J. Jover, E. Ruiz and A. Ghosh. «Ferro- to antiferromagnetic crossover angle in diphenoxido- and carboxylato-bridged trinuclear Ni(II)2-Mn(II) complexes: Experimental observations and theoretical rationalization.» Inorg. Chem., 2014, 53, 9296-9305. I. Oyarzábal, J. Ruiz, J. M. Seco, M. Evangelisti, A. Camon, E. Ruiz, D. Aravena and E. Colacio. «Rational electrostatic design of easy-axis magnetic anisotropy in a Zn(II)-Dy(III)-Zn(II) single-molecule magnet with a high energy barrier.» Chem. Eur. J., 2014, 20, 14262-1429. F. Julia, G. Aullón, D. Bautista and P. González-Herrero. «Exploring excited-state tunability in luminescent tris-cyclometalated platinum(IV) complexes: Synthesis of heteroleptic derivatives and computational calculations.» Chem. Eur. J., 2014, 20, 17346-17359. D. Aravena, Z. A. Castillo, M. C. Muñoz, A. B. Gaspar, K. Yoneda, R. Ohtani, A. Mishima, S. Kitagawa, M. Ohba, J. A. Real and E. Ruiz. «Guest modulation of spin-crossover transition temperature in a porous iron(ii) metal-organic framework: Experimental and periodic DFT studies». Chem. Eur. J., 2014, 20, 12864-12873. J. Jover. “Computational insights into nucleophilic copper-catalyzed trifluoromethylation of aryl halides”. ACS Catal. 2014, 4, 4389-4397. 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. 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. 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. S. Lentijo, J. E. Expósito, G. Aullón, J. A. Miguel, P. Espinet, “Highly Fluorescent Complexes with 3-isocyanoperylene and N-(2,5-di-tert-butylphenyl)-9-isocyanoperylene-3,4-dicarboximide” Dalton Trans., 2014, 43, 10885-10897. A. G. Algarra, G. Aullón,P. V. Bernhardt, M. Martínez, “Computational Insights on the Chemistry of Cu(II) with a Mixed-donor N3S3Macrobicyclic Ligand” Inorg. Chem., 2014, 53, 512-521. M. M. Hanninen,A. J. Mota, D. Aravena, E. Ruiz, R. Sillanpaa, A. Camon, M. Evangelisti, E. Colacio. Two C3-Symmetric Dy3(III) Complexes with Triple Di-μ-methoxo-μ-phenoxo Bridges, Magnetic Ground State, and Single-Molecule Magnetic Behavior. Chem. Eur. J., 2014, 20, 8410-8420. S. Gómez-Coca, A. Urtizberea, E. Cremades, P. J. Alonso, A. Camon, E. Ruiz, F. Luis. «Origin of slow magnetic relaxation in Kramers ions with non-uniaxial anisotropy». Nature Commun. 2014, 5, 4300. Doi:10.1038/ncomms5300. 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, 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. J. Ponce, C. R. Arroyo, S. Tatay, R. Frisenda, P. Gaviña, D. Aravena, E. Ruiz, H. J. van der Zant, E. Coronado, «Effect of Metal Complexation on the Conductance of Single-Molecular Wires Measured at Room Temperature», J. Am. Chem. Soc. 2014, 136, 8314-8322. A. M. Ako, Y. Lan, O. Hampe, E. Cremades, E. Ruiz, C. E. Anson, A. K. Powell, «All-round robustness of the Mn19 coordination cluster system: experimental validation of a theoretical prediction», Chem. Commun. 2014, 50, 5847. 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. S. Gómez-Coca, E. Cremades, N. Aliaga-Alcalde, E. Ruiz, “Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex”, Inorg. Chem. 2014, 53, 676-678. F. Di Salvo, M. Y. Tsang, F. Teixidor, C. Viñas, J. G. Planas, J. Crassous, N. Vanthuyne, N. Aliaga-Alcalde, E. Ruiz, G. Coquerel, S. Clevers, V. Dupray, D. Choquesillo-Lazarte, M. E. Light, M. B. Hursthouse, «A Racemic and Enantiopure Unsymmetric Diiron(III) Complex with a Chiral o-Carborane-Based Pyridylalcohol Ligand: Combined Chiroptical, Magnetic, and Nonlinear Optical Properties», Chem. Eur. J. 2014, 20, 1081-1090. Z. Yan, Z.-P. Ni, F.-S. Guo, J.-Y. Li, Y.-C. Chen, J.-L. Liu, W.-Q. Lin, D. Aravena, E. Ruiz, M.-L. Tong. «Spin-Crossover Behavior in Two New Supramolecular Isomers», Inorg. Chem. 2014, 53, 201-208. E. Ruiz. «Charge transport properties of spin crossover systems», Phys.Chem.Chem.Phys. 2014, 16, 14. Publications 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2000 to 2005 1995 to 1999 1990 to 1994 1982 to 1989 All Pages
2015
P. Alemany, J.-P. Pouget and E. Canadell. «Structural and electronic control of the metal to insulator transition and local orderings in the θ-(BEDT-TTF)2X organic conductors». J. Phys. Condens. Matter, 2015, 27, 465702 (17 pp). D. H. Galván, R. Núñez-González, R. Rangel, P. Alemany and A. Posada-Amarillas. «Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of δ-Bi2O3«. Adv. Cond. Matter Phys. 2015, 120294. P. Alemany and E. Canadell. «Links between the crystal and electronic structure in the new family of unconventional superconductors A2Cr3As3 (A = K, Rb, Cs)». Inorg. Chem., 2015, 54, 8029-8034. K. Medjanik, A. Chernenkaya, S. A. Nepijko, G. Öhrwall, P. Foury-Leylekian, P. Alemany, E. Canadell, G. Schönhense and J.-P. Pouget. «Donor-anion interactions at the charge localization and charge ordering transitions of (TMTTF)2AsF6probed by NEXAFS». Phys. Chem. Chem. Phys., 2015, 17, 19202-19214. S. Conejeros, P. Alemany, M. Llunell, I. de P. R. Moreira, V. Sánchez and J. Llanos. «Electronic structure and magnetic properties of CuFeS2«. Inorg. Chem., 2015, 54, 4840-4849. W. Kaddour, P. Auban-Senzier, H. Raffy, M. Monteverde, J.-P. Pouget, C. R. Pasquier, P. Alemany, E. Canadell and L. Valade. «Metal-charge density wave coexistence in TTF[Ni(dmit)2]2«. Physica B, 2015, 460, 147-150. P. Alemany, E. Canadell, Y. Geng, J. Hauser, P. Macchi, K. Krämer, S. Decurtins and S.-X. Liu. «Exploring the Electronic Structure of an Organic Semiconductor Based on a Compactly Fused Electron Donor-Acceptor Molecule». ChemPhysChem, 2015, 16, 1361-1365. L. Escriche-Tur, J. Jover, M. Font-Bardia, G. Aullón and M. Corbella, «Magnetic Behavior of Heterometallic Wheels Having a [MnIV6M2O9]10+Core with M = Ca2+and Sr2+«. Inorg. Chem., 2015, 54, 11596-11605. Doi: 10.1021/acs.inorgchem.5b02131. S. Gómez-Coca and E. Ruiz. «Magnetic Behaviour of Transition Metal Complexes with Functionalized Chiral and C60-Filled Nanotubes as Bridging Ligands: A Theoretical Study». Magnetochem., 2015, 1, 62-71. 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. 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. W. Mahy, P. Plucinski, J. Jover and C. G. Frost, «Ruthenium-catalyzed O- to S-alkyl migration: A pseudoreversible Barton-McCombie pathway». Angew. Chem. Int. Ed., 2015, 54, 10944-10948. Doi: 10.1002/anie.201505280. L.-F. Wang, J.-Z. Qiu, J.-L. Liu, Y.-C. Chen, J.-H. Jia, J. Jover, E. Ruiz and M.-L. Tong, «Modulation of single-molecule magnet behaviour via photochemical 2+2 cycloaddition». Chem. Commun., 2015, 51, 15358-15361. I. Oyarzábal, J. Ruiz, E. Ruiz, D. Aravena, J. M. Seco and E. Colacio, «Increasing the effective energy barrier promoted by the change of a counteranion in a Zn-Dy-Zn SMM: slow relaxation via the second excited state». Chem. Commun., 2015, 51, 12353-12356. L. Maxwell, S. Gómez-Coca, T. Weyhermueller, D. Panyella and E. Ruiz, «A trinuclear CuII complex with functionalized s-heptazine N-ligands: molecular chemistry from a g-C3N4 fragment». Dalton Trans., 2015, 44, 15761-15763. F. A. Mautner, C. Berger, M. Scherzer, R. C. Fischer, L. Maxwell, E. Ruiz and R. Vicente, «Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations». Dalton Trans., 2015, 44, 18632-18642. A. K. Jassal, N. Aliaga-Alcalde, M. Corbella, D. Aravena, E. Ruiz and G. Hundal, «Neodymium 1D systems: targeting new sources for field-induced slow magnetization relaxation». Dalton Trans., 2015, 44, 15774-15778. J. Cirera and E. Ruiz, «Theoretical modeling of two-step spin-crossover transitions in FeII dinuclear systems». J. Mater. Chem. C, 2015, 3, 7954-7961. 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. E. Expósito, M. Alvarez-Paino, G. Aullón, J. A. Miguel and P. Espinet, «Higher Fluorescence in Platinum(IV) Orthometallated Complexes of Perylene Imine Compared with their Platinum(II) or Palladium(II) Analogues». Dalton Trans., 2015, 44, 16164-16176. Doi: 10.1039/c5dt02572a. G. Aullón, M. Crespo, M. Font-Bardía, J. Jover, M. Martínez and J. Pike, «A Combined Kinetico-mechanistic and Computational Study on the Competitive Formation of Seven- versus Five-membered Platinacycles; the Relevance of Spectator Halide Ligands». Dalton Trans., 2015, 44 17968-17979. Doi: 10.1039/c5dt02657a. 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. 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. 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. C. M. Alvarez, G. Aullón, H. Barbero, L. A. García-Escudero, C. Martínez-Pérez, J. M. Martín-Alvarez and D. Miguel. «Assembling Nonplanar Polyaromatic Units by Click Chemistry. Study of Multicorannulene Systems as Host for Fullerenes”. Org. Lett., 2015, 17, 2578-2581. Doi: 10.1021/acs.orglett.5b01161. 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 NS2Aminobis(thiophenolate) Ligand”. Inorg. Chem., 2015, 54, 619−627. N. Bridonneau, J. Long, J.-L. Cantin, J. von Bardeleben, S. Pillet, E.-E. Bendeif, D. Aravena, E. Ruiz, V. Marvaud. «First evidence of light- induced spin transition in molybdenum(IV)». Chem. Commun., 2015, 51, 8229-8232. S. Gómez-Coca, D. Aravena, R. Morales, E. Ruiz. «Large magnetic anisotropy in mononuclear metal complexes». Coord. Chem. Rev., 2015, 289-290, 379-392. S. Das, K. S. Bejoymohandas, A. Dey, S. Biswas, M. L. P. Reddy, R. Morales, E. Ruiz, S. Titos-Padilla, E. Colacio, V. Chandrasekhar. «Amending the Anisotropy Barrier and Luminescence Behavior of Heterometallic Trinuclear Linear [MII– LnIII– MII] (LnIII = Gd, Tb, Dy; MII = Mg /Zn) Complexes by Change from Divalent Paramagnetic to Diamagnetic Metal Ions». Chem. Eur. J., 2015, 21, 6449-6464. M. Lupu, A. Zaulet, F. Teixidor, E. Ruiz and C. Viñas. «Negatively Charged Metallacarborane Redox Couples with Both Members Stable to Air». Chem. Eur. J. 2015, 21, 6888-6897. 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. 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. 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. 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.
2016
K. Medjanik, A. Chernenkaya, X. Kozina, S. A. Nepijko, G. Öhrwall, P. Foury-Leylekian, P. Alemany, G. Schönhense, E. Canadell and J.-P. Pouget «Near-Edge X_ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6«. J. Phys. Chem. A, 2016, 120, 8574–8583. C. Climent, A. Carreras, P. Alemany and D. Casanova. «A push-pull organic dye with a quinoidal thiophene linker: photophysical properties and solvent effects». Chem. Phys. Lett., 2016, 663, 45-50. P. Alam, C. Climent, G. Kaur, D. Casanova, A. R. Choudhury, A. Gupta, P. Alemany and I. R. Laskar. «Exploring the Origin of ‘Aggregation Induced Emission’ Activity and ‘Crystallization Induced Emission’ in Organometallic Iridium(III) Cationic Complexes: Influence of Counterions». Cryst. Growth Des., 2016, 16, 5738-5752. P. Alemany, E. Canadell and J.-P. Pouget. «First-principles analysis of the charge transfer in the NMP-TCNQ molecular metal and (NMP)x(Phen)1-xTCNQ solid solutions». Europhys. Lett., 2016, 113, 27006. D.G. Branzea, F. Pop, P. Auban-Senzier, R. Clérac, P. Alemany, E. Canadell and N. Avarvari. «Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes». J. Am. Chem. Soc., 2016, 138, 6838-6851. J. Vallejos, I. Brito, A. Cárdenas, M. Bolte, S, Conejeros, P. Alemany and J. Llanos. «Self-Assembly of Discrete Metallocycles versus Coordination Polymers Based on Cu(I) and Ag(I) Ions and Flexible Ligands: Structural Diversification and Luminescent Properties». Polymers, 2016, 8, 46. J. J. Baldoví, Y. Duan, R. Morales, A. Gaita-Arino, E. Ruiz and E. Coronado. «Rational Design of Lanthanoid Single-Ion Magnets: Predictive Power of the Theoretical Models». Chem. Eur. J., 2016, 22, 13532-13539. J. Cirera, Y. Jiang, L. Qin, Y.-Z. Zheng, G. Li, G. Wu and E. Ruiz. «Ferromagnetism in polynuclear systems based on non-linear [MnII2MnIII] building blocks». Inorg. Chem. Front., 2016, 3, 1272-1279. M. Fondo, J. Doejo, A. M. García-Deibe, J. Sanmartín-Matalobos, R. Vicente, M. S. El-Fallah, M. Amoza and E. Ruiz. «Predetermined Ferromagnetic Coupling via Strict Control of M-O-M Angles». Inorg. Chem., 2016, 55, 11707-11715. N. Gallego-Planas, A. Martín-Rodríguez and E. Ruiz. «Magnetic and transport properties of Fe-4 single-molecule magnets: a theoretical insight». Dalton Trans., 2016, 45, 18867-18875. J. R. Jiménez, I. F. Díaz-Ortega, E. Ruiz, D. Aravena, S. J. A. Pope, E. Colacio and J. M. Herrera. «Lanthanide Tetrazolate Complexes Combining Single-Molecule Magnet and Luminescence Properties: The Effect of the Replacement of Tetrazolate N-3 by -Diketonate Ligands on the Anisotropy Energy Barrier». Chem. Eur. J., 2016, 22, 14548-14559. T. J. Woods, M. F. Ballesteros-Rivas, S. Gómez-Coca, E. Ruiz and K. R. Dunbar. «Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations». J. Am. Chem. Soc., 2016, 138, 16407-16416. J. Gómez, N. Leiva, R. Arancibia, J. Oyarzo, G. E. Buono-Core, A. H. Klahn, V. Artigas, M. Fuentealba, R. Bosque, G. Aullón, C. López, M.Font-Bardía and T. Calvet. «Synthesis, characterization, crystal structures and computational studies on novel cyrhetrenyl hydrazones». J. Organomet. Chem., 2016, 819 129-137. Doi: 10.1016/j.jorganchem.2016.06.026. A. Mondragón, P. R. Martínez-Alanis, G. Aullón, S. Hernández-Ortega, E. Robles-Marín, M. Flores-Alamo, V. M. Ugalde-Saldívar and I. Castillo. «Redox flexibility of iron complexes supported by sulfur-based tris(o-methylenethiophenolato)amine relative to its tripodal oxygen-based congener». Dalton Trans., 2016, 45, 9996-10006. Doi: 10.1039/c6dt00814c. P. Seth, A. Figuerola, J. Jover, E. Ruiz and A. Ghosh. «Antiferro- to ferromagnetic crossover in diphenoxido bridged NiII2MnII complexes derived from N2O2 donor Schiff base ligands.» Polyhedron 2016, 117, 57-63. L. Piñeiro-López, N. Ortega-Villar, M. C. Muñoz, G. Molnár, J. Cirera, R. Moreno-Esparza, V. M. Ugalde-Saldívar, A. Bousseksou, E. Ruiz and J. A. Real. «Electronic Structure Modulation in an Exceptionally Stable Non-Heme Nitrosyl Iron(II) Spin-Crossover Complex.» Chem. Eur. J. 2016, 22, 12741-12751. Doi: 10.1002/chem.201601172. A. Martín-Rodríguez, D. Aravena and E. Ruiz. «DFT approaches to transport calculations in magnetic single-molecule devices.» Theor. Chem. Acc., 2016, 135, 1-10. 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. M. Ding, G. E. Cutsail III, D. Aravena, D.; M. Amoza, M. Rouzieres, P. Dechambenoit, Y. Losovyj, M. Pink, E. Ruiz, R. Clérac and J. M. Smith. «A low spin manganese(iv) nitride single molecule magnet.» Chem. Sci. 2016, 7, 6132-6140. Doi: 10.1039/C6SC01469K R. Díaz-Torres, M. Menelaou, O. Roubeau, A. Sorrenti, G. Brandáriz-de-Pedro, E. C. Sañudo, S. J. Teat, J. Fraxedas, E. Ruiz and N. Aliaga-Alcalde. «Multiscale study of mononuclear Co-II SMMs based on curcuminoid ligands.» Chem. Sci. 2016, 7, 2793-2803. E. Burzuri, J. O. Island, R. Díaz-Torres, A. Fursina, A. González-Campo, O. Roubeau, S. J. Teat, N. Aliaga-Alcalde, E. Ruiz and H. S. J. van der Zant. «Sequential Electron Transport and Vibrational Excitations in an Organic Molecule Coupled to Few-Layer Graphene Electrodes.» ACS Nano, 2016, 10, 2521-2527. D. Aravena, D. Venegas-Yazigi and E. Ruiz. «Single-Molecule Magnet Properties of Transition-Metal Ions Encapsulated in Lacunary Polyoxometalates: A Theoretical Study.» Inorg. Chem. 2016, 55, 6405-6413. D. Aravena, D. Venegas-Yazigi and E. Ruiz. «Exchange Interactions on the Highest-Spin Reported Molecule: the Mixed-Valence Fe42 Complex.» Sci. Rep. 2016, 6, 23847. A. C. Aragonés, D. Aravena, J. I. Cerdá, Z. Acis-Castillo, H. Li, J. A. Real, F. Sanz, J. Hihath, E. Ruiz and I. Diez-Pérez. «Large Conductance Switching in a Single-Molecule Device through Room Temperature Spin-Dependent Transport.» Nano Lett. 2016, 16, 218-226. J. Cirera and E. Ruiz. «Theoretical Modeling of the Ligand-Tuning Effect over the Transition Temperature in Four-coordinated Fe(II) Molecules». Inorg. Chem., 2016, 55, 1657-1663. 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. 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. 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. Publications 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2000 to 2005 1995 to 1999 1990 to 1994 1982 to 1989 All Pages
2017
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. Publications 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2000 to 2005 1995 to 1999 1990 to 1994 1982 to 1989 All Pages
2018
Publications 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2000 to 2005 1995 to 1999 1990 to 1994 1982 to 1989 All Pages