Listar QFA_Articles por autoría "9cb3770c-5ede-40e5-a94b-fc2b25c601cd"
Mostrando ítems 1-8 de 8
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Halogen bonding interactions with the [Mo3S7Cl6]2-cluster anion in the mixed valence salt [EDT-TTFI2]4[Mo3S7Cl6]oCH3CN
Alberola Catalán, Antonio; Fourmigué, Marc; Gómez García, Carlos J.; Llusar, Rosa; Triguero Bascuñán, Sonia Royal Society of Chemistry (2008)Electrocrystallization of iodinated TTF molecules in presence of trinuclear [Mo3S7Cl6]2- cluster anions provides the first example of radical salts with halogen bonding interactions at the organic/inorganic interface -
Magnetic interactions in thiazyl-based magnets: The role of the charge and spin densities
Campo, Javier; Alberola Catalán, Antonio; Palacio, Fernando; Luzon, Javier; Goeta, Andres E.; Rawson, Jeremy M.; McIntyre, Garry J. International Union of Crystallography (2008)The crystal structure of the organic radical p-O2NC6F4CNSSN was determined at 20 K through a single-crystal neutron-diffraction experiment. It crystallises in the tetragonal space group P41212, unchanged from a previous ... -
Polymorphism in a π-Stacked 1,3,2-Dithiazolyl Radical: Pyridyl-1,3,2-Dithiazolyl
Alberola Catalán, Antonio; Clements, Owen P.; Collis, Rebecca J.; Cubbitt, Louisa; Grant, Craig M.; Less, Robert J.; Oakley, Richard T.; Rawson, Jeremy M.; Reed, Robert W.; Robertson, Craig M. American Chemical Society (2008-01)Pyridyl-1,3,2-dithiazolyl PyDTA (1) has been synthesized and its electronic structure has been probed by cyclic voltammetry, electron paramagnetic resonance spectroscopy, and density functional theory calculations. The ... -
Synthesis and Molecular and Electronic Structures of a Series of Mo3CoSe4 Cluster Complexes with Three Different Metal Electron Populations
Alberola Catalán, Antonio; Llusar, Rosa; Vicent Barrera, Cristian; Andres, Juan; Polo Ortiz, Victoriano; Gómez García, Carlos J. American Chemical Society (2008-03)The synthesis, crystal structure, and magnetic properties of [Mo3(CoCO)Se4(dmpe)3Cl3] (1), [Mo3(CoCl)Se4(dmpe)3Cl3] (2), and [Mo3(CoCl)Se4(dmpe)3Cl3](TCNQ) ([2](TCNQ)) (dmpe = 1,2-bis(dimethylphosphanyl)ethane; TCNQ = ... -
Synthesis of brominated tetrathiafulvalenes via phosphite-mediated cross-coupling
Alberola Catalán, Antonio; Bosch Navarro, Conxa; Gaviña, Pablo; Tatay, Sergio Elsevier (2010)The synthesis of polybrominated tetrathiafulvalenes (TTF-Br<sub>n</sub>, 2-4) containing 2-4 bromine atoms via phosphite-mediated cross-coupling of bromo-substituted 1,3-dithiole-2-thiones and 1,3-dithiole-2-ones is reported. ... -
Tetranuclear Lanthanide Aqua Hydroxo Complexes with Macrocyclic Ligand Cucurbit[6]uril
Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumova, Marina I.; Yurjeva, Olga P.; Alberola Catalán, Antonio; Vicent Barrera, Cristian; Llusar, Rosa; Fedin, Vladimir P. WILEY-VCH Verlag (2008)Tetranuclear lanthanide aqua hydroxo complexes with two structural types of core – {Ln4(μ3-OH)4(μ2-OH)4}4+ [Ln = Pr (1), Nd (2), Eu (3), Gd (4), Tb (5)] and {Ln4(μ3-OH)4(μ2-OH)2}6+ [Ln = Er (6), Yb (7)] – were prepared by ... -
Towards understanding of magnetic interactions within a series of tetrathiafulvalene- conjugated- verdazyl diradical cation system: a density funtional theory study
Andres, Juan; Anthony, Jennifer; Pilkington, Melanie; Polo Ortiz, Victoriano; Alberola Catalán, Antonio Royal Society of Chemistry (2008)The intramolecular magnetic exchange coupling constants (J) for a series of tetrathiafulvalene (TTF) and verdazyl diradical cations connected by a range of p conjugated linkers have been investigated by means of methodology ... -
Use of a cubane-type Mo3 CoS4 molecular cluster as paramagnetic unit in the synthesis of hybrid charge-transfer salts
Krackl, Sebastian; Alberola Catalán, Antonio; Llusar, Rosa; Meyer, Gerd; Vicent Barrera, Cristian Elsevier (2010)Selective substitution of the chlorine atom coordinated to cobalt in the paramagnetic Mo<sub>3</sub>(CoCl)S<sub>4</sub>(dmpe)<sub>3</sub>Cl<sub>3</sub> (dmpe = 1,2-bis(dimethylphosphanyl) ethane) complex with a S = 1/2 ...