Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Vicent S"'
Autor:
Eva Guillamón, Rosa Llusar, Andrés G. Algarra, Tomás F. Beltrán, Jose Ángel Pino-Chamorro, Carmen E. Castillo, M. Jesús Fernández-Trujillo, Elena Pedrajas, Manuel G. Basallote, Vicent S. Safont
Publikováno v:
Repositori Universitat Jaume I
Universitat Jaume I
Universitat Jaume I
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 cubane core with the outer pos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::915b8bcafb50602ceec8860262d5ce53
Autor:
Vicent S. Safont, Cyrille Nouhou Nana, Joseph Ketcha-Mbadcam, Abel Idrice Adjieufack, Ibrahim Mbouombouo Ndassa, Mónica Oliva, Juan Andrés
Publikováno v:
Repositori Universitat Jaume I
Universitat Jaume I
ACS Omega, Vol 5, Iss 35, Pp 22215-22225 (2020)
Universitat Jaume I
ACS Omega, Vol 5, Iss 35, Pp 22215-22225 (2020)
This study is focused on describing the molecular mechanism beyond the molecular picture provided by the evolution of molecular orbitals, valence bond structures along the reaction progress, or conceptual density functional theory. Using bonding evol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9f3b7aa26a2dfbbd1c9343ee3b60e35
https://doi.org/10.1021/acsomega.0c02371
https://doi.org/10.1021/acsomega.0c02371
Publikováno v:
European Journal of Inorganic Chemistry. 2016:5171-5179
Aminophosphine [Mo3S4X3(edpp)3]+ cluster complexes, 1+ (X = Cl) and 2+ (X = Br) {edpp = (2-aminoethyl)diphenylphosphine} have been quantitatively prepared by treating the [Mo3S7X6]2– anion with the edpp ligand in a one-pot synthetic procedure. Alte
Autor:
M. Jesús Fernández-Trujillo, Manuel G. Basallote, Vicent S. Safont, Rosa Llusar, Jose Ángel Pino-Chamorro, Tomás F. Beltrán
Publikováno v:
Inorganic Chemistry 2015, 54, 607−618
Repositori Universitat Jaume I
Universitat Jaume I
Repositori Universitat Jaume I
Universitat Jaume I
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. Related [W3S4X3(edpp)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::93a06b09fa071c4cd0ac4431fbfb79bd
http://hdl.handle.net/10498/20492
http://hdl.handle.net/10498/20492
Publikováno v:
RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
instname
instname
[EN] The catalytic hydrodefluorination (HDF) of pentafluoropyridine in the presence of arylsilanes is catalyzed by the tungsten and molybdenum(IV) cluster hydrides of formula [M3 S4 H3(dmpe)3] ¿, W-1¿for M = W and Mo-1¿for M = Mo (dmpe = 1,2-(bis)
Autor:
Manuel G. Basallote, Rosa Llusar, and Vicent S. Safont, M. Jesús Fernández-Trujillo, Cristian Vicent, Andrés G. Algarra
Publikováno v:
Inorganic Chemistry. 45:5774-5784
The 1H,19F HOESY spectra of the title compounds in CD2Cl2 solution indicate that the cluster cations form ion pairs with the BF4- and PF6- anions with a well-defined interionic structure that appears to be basically determined essentially by the natu
Publikováno v:
Chemical Physics Letters. 340:391-399
The transition structures (TSs) for the carbon–carbon bond-breaking step in the carboxylation and oxygenation reactions catalyzed by Rubisco are studied at HF/6-31G ∗∗ and full MP2/6-31G ∗∗ levels. The active atoms of the substrate (ribulos
Publikováno v:
The Journal of Physical Chemistry A. 105:4726-4736
The oxygenation chemistry catalyzed by d-ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) is theoretically characterized with transition structures (T-Ss) describing enolization, oxygen fixation, hydration, and concerted O−O and C2−C3 bo
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 330:411-416
The transition state structure for the hydride transfer in dihydrofolate reductase, DHFR, enzyme has been calculated with analytical gradients at semiempirical levels: AM1 and PM3. The geometry, electronic structure and transition vector components a
Publikováno v:
RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
instname
instname
[EN] Collision induced dissociation experiments of the alkoxo [W3S4(dmpe)(2)(O)(OCH2CH3)](+) tungsten (IV) cation reveal that aldehyde elimination is the dominant reaction pathway. Complementary deuterium labelling experiments give support to a hydro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90f668d8bf46391845ba9d7ba08fc5c9
https://hdl.handle.net/10251/64097
https://hdl.handle.net/10251/64097