Listar QFA_Articles por autoría "5784d02c-7691-4ed2-8bbd-d72055d5d761"
Mostrando ítems 1-10 de 10
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Benchmarking of DFTmethods using experimental free energies and volumes of activation for the cycloaddition of alkynes to cuboidalMo(3)S(4)clusters
Pedrajas Gual, Elena; Pino Chamorro, Jose Angel; Ferrer, Montserrat; Fernández-Trujillo, M. Jesús; Llusar, Rosa; Martínez, Manuel; García Basallote, Manuel; Algarra, Andrés G. Wiley (2020-06-25)Here, the kinetics of the concerted [3 + 2] cycloaddition reaction between the [Mo3(μ3‐S)(μ‐S)3Cl3(dmen)3]+ (dmen = N,N′‐dimethyl‐ethylenediamine) ([1]+) cluster and various alkynes to form dithiolene derivatives is ... -
Bifunctional W/NH Cuboidal Aminophosphino W3S4 Cluster Hydrides: The Puzzling Behaviour behind the Hydridic-Protonic Interplay
Guillamón, Eva; Beltrán Álvarez, Tomás Francisco; Safont Villarreal, Vicent Sixte; Castillo, Carmen E.; Algarra, Andrés G.; Fernández-Trujillo, M. Jesús; Pedrajas Gual, Elena; Pino Chamorro, Jose Angel; García Basallote, Manuel; Llusar, Rosa Wiley (2021-09-22)The novel [W3S4H3(edpp)3]+ (edpp=(2-aminoethyl)diphenylphosphine) (1+) cluster hydride with an acidic −NH2 functionality has been synthetized and studied. Its crystal structure shows the characteristic incomplete W3S4 ... -
Cuboidal Mo3S4 Clusters as a Platform for Exploring Catalysis: A Three-Center Sulfur Mechanism for Alkyne Semihydrogenation
Algarra, Andrés G.; Guillamón, Eva; Andres, Juan; Fernández-Trujillo, M. Jesús; Pedrajas Gual, Elena; Pino Chamorro, Jose Angel; Llusar, Rosa; García Basallote, Manuel American Chemical Society (2018-08-03)We report a trinuclear Mo3S4 diamino cluster that promotes the semihydrogenation of alkynes. Based on experimental and computational results, we propose an unprecedented mechanism in which only the three bridging sulfurs ... -
Cycloaddition of alkynes to diimino Mo3S4 cubane-type clusters: a combined experimental and theoretical approach
Pino Chamorro, Jose Angel; Laricheva, Yuliya A.; Guillamón, Eva; Fernández-Trujillo, M. Jesús; Bustelo, Emilio; Gushchin, Artem L.; Shmelev, Nikita Y.; Abramov, Pavel A.; Sokolov, Maxim; Llusar, Rosa; García Basallote, Manuel; Algarra, Andrés G. Royal Society of Chemistry (2016)A heterocyclic ligand 4,4′-di-tert-butyl-2,2′-bipyridine (dbbpy) has been coordinated to the Mo3S4 cluster unit affording the complex [Mo3S4Cl3(dbbpy)3]+ ([1]+) in a one-step ligand-exchange protocol from [Mo3S4(tu)8(H2O)]Cl4·4H2O ... -
Influence of the Ligand Alkyl Chain Length on the Solubility, Aqueous Speciation, and Kinetics of Substitution Reactions of Water-Soluble M3S4 (M = Mo, W) Clusters Bearing Hydroxyalkyl Diphosphines
Beltrán Álvarez, Tomás Francisco; Llusar, Rosa; Sokolov, Maxim; García Basallote, Manuel; Fernández-Trujillo, M. Jesús; Pino Chamorro, Jose Angel American Chemical Society (2013)Water-soluble [M3S4X3(dhbupe)3]+ diphosphino complexes (dhbupe = 1,2-bis(bis(hydroxybutyl)phosphino)ethane), 1+ (M = Mo, X = Cl) and 2+ (M = W; X = Br), have been synthesized by extending the procedure used for the ... -
Kinetics Aspects of the Reversible Assembly of Copper in Heterometallic Mo3CuS4 Clusters with 4,4′-Di-tert-butyl-2,2′-bipyridine
Pino Chamorro, Jose Angel; Laricheva, Yuliya A.; Guillamón, Eva; Fernández-Trujillo, M. Jesús; Algarra, Andrés G.; Gushchin, Artem L.; Abramov, Pavel A.; Bustelo, Emilio; Llusar, Rosa; Sokolov, Maxim; García Basallote, Manuel American Chemical Society (2016)Treatment of the triangular [Mo3S4Cl3(dbbpy)3]Cl cluster ([1]Cl) with CuCl produces a novel tetrametallic cuboidal cluster [Mo3(CuCl)S4Cl3(dbbpy)3][CuCl2] ([2][CuCl2]), whose crystal structure was determined by X-ray ... -
Site specific ligand substitution in cubane-type Mo3FeS44+ clusters: Kinetics and mechanism of reaction and isolation of mixed ligand Cl/SPh complexes
Algarra, Andrés G.; García Basallote, Manuel; Fernández-Trujillo, M. Jesús; Llusar, Rosa; Pino Chamorro, Jose Angel; Sorribes, Iván; Vicent Barrera, Cristian Royal Society of Chemistry (2010)The synthesis, crystal structure and solution characterization of the cubane-type [Mo3(FeCl)S4(dmpe)3Cl3] (1) (dmpe = 1,2-bis(dimethylphophane-ethane)) cluster are reported and the ligand substitution processes of chloride ... -
Studies on the Reactivity of the Aminophosphino [W 3 S 4 Br 3 (edpp ) 3 ] + (edpp= (2 - aminoethyl) diphenylphosphine) Cluster Cation towards Bases Reveal ing a Non - Passive Role of the Amino Group
Pino Chamorro, Jose Angel; Beltrán Álvarez, Tomás Francisco; Fernández-Trujillo, M. Jesús; García Basallote, Manuel; Llusar, Rosa; Algarra, Andrés G. Wiley (2017-11-24)Detailed studies using stopped-flow, 31 P{ 1 H} NMR, a nd ESI - MS have been carried on the reaction of the [W 3 S 4 Br 3 (edpp) 3 ] + (edpp = ( 2 - aminoethyl)diphenylphosphine ) ... -
Synthesis and Structure of Trinuclear W3S4 Clusters Bearing Aminophosphine Ligands and Their Reactivity toward Halides and Pseudohalides
Beltrán Álvarez, Tomás Francisco; Pino Chamorro, Jose Angel; Fernández-Trujillo, M. Jesús; Safont Villarreal, Vicent Sixte; García Basallote, Manuel; Llusar, Rosa American Chemical Society (2014-12-31)The aminophosphine ligand (2-aminoethyl)diphenylphosphine (edpp) has been coordinated to the W3(μ-S)(μ-S)3 cluster unit to afford trimetallic complex [W3S4Br3(edpp)3]+ (1+) in a one-step synthesis process with high yields. ... -
Water-Soluble Mo3S4 Clusters Bearing Hydroxypropyl Diphosphine Ligands: Synthesis, Crystal Structure, Aqueous Speciation, and Kinetics of Substitution Reactionss
García Basallote, Manuel; Fernández-Trujillo, M. Jesús; Pino Chamorro, Jose Angel; Llusar, Rosa; Beltrán Álvarez, Tomás Francisco; Corao, Carolina; Sokolov, Maxim; Vicent Barrera, Cristian Elsevier (2012-06)The [Mo3S4Cl3(dhprpe)3]+ (1+) cluster cation has been prepared by reaction between Mo3S4Cl4(PPh3)3 (solvent)2 and the water-soluble 1,2-bis(bis(hydroxypropyl)phosphino)ethane (dhprpe, L) ligand. The crystal structure of ...