在[Mo₃S₄M']簇（M' = Ni，Pd）上配位的H₃PO₂不稳定棱锥形互变异构体的稳定化机制中第二个H₃PO₂的催化作用
Catalytic effect of a second H3PO2 in the mechanism of stabilisation of the unstable pyramidal tautomer of H3PO2 coordinated at [Mo3S4M'] clusters (M' = Ni, Pd).
作者信息
Algarra Andrés G, Basallote Manuel G, Fernández-Trujillo María J, Hernández-Molina Rita, Safont Vicent S
机构信息
Departamento de Ciencia de los Materiales e Ingeniería Metalúrgica, Facultad de Ciencias, Universidad de Cádiz, Avd. República Saharahui, s/n, Puerto Real, 11510, Cádiz, Spain.
出版信息
Chem Commun (Camb). 2007 Aug 7(29):3071-3. doi: 10.1039/b704990k. Epub 2007 May 15.
Kinetic and DFT studies indicate that the stabilization of a single pyramidal H(3)PO(2) molecule at the M' site of [Mo(3)S(4)M'] clusters requires the participation of two tetrahedral H(3)PO(2) molecules, the role of the second one being assisting tautomerization of a previously coordinated tetrahedral H(3)PO(2).
动力学和密度泛函理论研究表明，在[Mo(3)S(4)M']簇的M'位点上稳定单个锥形H(3)PO(2)分子需要两个四面体H(3)PO(2)分子的参与，第二个分子的作用是协助先前配位的四面体H(3)PO(2)的互变异构。
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