Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Vicent S"'
Autor:
Abel Idrice Adjieufack, Jean Moto Ongagna, Jean Serge Essomba, Monique Bassomo Ewonkem, Mónica Oliva, Vicent Sixte Safont, Juan Andrés
Publikováno v:
Molecules, Vol 28, Iss 19, p 6755 (2023)
In the present work, the bond breaking/forming events along the intramolecular Diels–Alder (IMDA) reaction of (2E,4Z,6Z)-2(allyloxy)cycloocta-2,4,6-trien-1-one have been revealed within bonding evolution theory (BET) at the density functional theor
Externí odkaz:
https://doaj.org/article/82302d357c034985bf49453e249e8596
Publikováno v:
RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
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[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:
Andrés G. Algarra, M. Jesús Fernández-Trujillo, Rosa Llusar, Manuel G. Basallote, Vicent S. Safont, Marta Feliz
Publikováno v:
Chemistry - A European Journal. 16:1613-1623
The kinetics of reaction of the [W(3)PdS(4)H(3)(dmpe)(3)(CO)](+) hydride cluster (1(+)) with HCl has been measured in dichloromethane, and a second-order dependence with respect to the acid is found for the initial step. In the presence of added BF(4
Autor:
Manuel G. Basallote, Vicent S. Safont, Andrés G. Algarra, Cristian Vicent, M. Jesús Fernández-Trujillo, Rosa Llusar, Marta Feliz
Publikováno v:
Chemistry - A European Journal. 15:4582-4594
Opening the cluster core: Substitution of the chloride ligand in the novel cationic cluster [W(3)CuS(4)H(3)Cl(dmpe)(3)](+) (see figure; dmpe=1,2-bis(dimethylphosphino)ethane) by acetonitrile is promoted by water addition. Kinetic and density function
Publikováno v:
Organometallics. 26:527-537
Careful tuning of the reaction conditions has been proved to be essential for the operation of two disjunctive reaction mechanisms occurring on the ortho-metalated platinum compounds [PtIVBr(Ph)2(C...
Publikováno v:
European Journal of Organic Chemistry. 2005:2406-2415
The reasons why oxo-peroxo molybdenum complexes chemoselectively oxidize unsaturated sulfides to the corresponding sulfoxides and these to sulfones without any epoxidation of the electron-rich double bond were elucidated by transition state theory an
Publikováno v:
Organometallics. 23:730-739
The molecular mechanisms of the reaction VO2+ (1A1/3A‘ ‘) + C2H6 (1Ag) to yield V(OH)2+ (1Σ+/3Σ-) + C2H4 (1Ag) and/or VO+ (1Δ / 3Σ) + H2O (1A1) + C2H4 (1Ag) have been investigated with density functional theory (DFT) at the B3LYP/6-311G(2d,p)
Autor:
Vicent S. Safont, Armando Herize, Raquel Castillo, Gabriel Chuchani, Rosa M. Dominguez, Alexandra Rotinov, Juan Andrés
Publikováno v:
The Journal of Physical Chemistry A. 108:996-1007
The gas-phase decomposition kinetics of the title compounds have been examined over the temperature range of 369.9-439.4 °C and pressure range of 67.5-209.0 Torr. The reactions were found to be homogeneous and unimolecular and to follow a first-orde
Publikováno v:
The Journal of Organic Chemistry. 68:5870-5874
The molecular mechanism for the oxidation of sulfides to sulfoxides and subsequent oxidation to sulfones by diperoxo, MoO(O(2))(2)(OPH(3)) (I), and monoperoxo, MoO(2)(O(2))(OPH(3)) (II), complexes of molybdenum was studied using density functional ca
Publikováno v:
Scopus-Elsevier
The decomposition of three alkoxyacetic acids, methoxy, ethoxy, and isopropoxy acetic acids, has been studied by using ab initio calculations at the MP2/6-31G** level. Molecular mechanisms A and B ...