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)

Andrés G. Algarra; Manuel G. Basallote; María J. Fernández-Trujillo; Rita Hernández-Molina; Vicent S. Safont

doi:10.1039/B704990K

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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)†

Andrés G. Algarra,^a Manuel G. Basallote,*^a María J. Fernández-Trujillo,^a Rita Hernández-Molina*^b and Vicent S. Safont^c

Author affiliations

* Corresponding authors

^a Departamento de Ciencia de los Materiales e Ingeniería Metalúrgica, Facultad de Ciencias, Universidad de Cádiz, Avd. República Saharahui, s/n, Puerto Real, Cádiz, Spain
E-mail: manuel.basallote@uca.es

^b Departamento de Química Inorgánica, Facultad de Farmacia, Universiad de La Laguna, La Laguna, Tenerife, Spain
E-mail: rrhernan@ull.es

^c Departament de Química Física i Analítica, Universitat Jaume I, Campus de Riu Sec, P. O. Box 224, Castelló, Spain
E-mail: sixte.safont@qfa.uji.es

Abstract

Kinetic and DFT studies indicate that the stabilization of a single pyramidal H₃PO₂ molecule at the M′ site of [Mo₃S₄M′] clusters requires the participation of two tetrahedral H₃PO₂ molecules, the role of the second one being assisting tautomerization of a previously coordinated tetrahedral H₃PO₂.

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Supplementary files

Experimental and computational details; collection of optimized geometries and Cartesian coordinates PDF (536K)

Article information

DOI: https://doi.org/10.1039/B704990K
Article type: Communication
Submitted: 02 Apr 2007
Accepted: 24 Apr 2007
First published: 15 May 2007

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Chem. Commun., 2007, 3071-3073

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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)

A. G. Algarra, M. G. Basallote, M. J. Fernández-Trujillo, R. Hernández-Molina and V. S. Safont, Chem. Commun., 2007, 3071 DOI: 10.1039/B704990K

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