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Issue 22, 2012
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Structure, properties and reactivity of polyoxometalates: a theoretical perspective

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Abstract

In the thematic review dedicated to polyoxometalate (POM) chemistry published in Chemical Reviews in 1998, no contribution was devoted to theory. This is not surprising because computational modelling of molecular metal-oxide clusters was in its infancy at that time. Nowadays, the situation has completely changed and modern computational methods have been successfully applied to study the structure, electronic properties, spectroscopy and reactivity of POM clusters. Indeed, the progress achieved during the past decade has been spectacular and herein we critically review the most important papers to provide the reader with an almost complete perspective of the field.

Graphical abstract: Structure, properties and reactivity of polyoxometalates: a theoretical perspective

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Article information


Submitted
02 May 2012
First published
10 Aug 2012

Chem. Soc. Rev., 2012,41, 7537-7571
Article type
Critical Review

Structure, properties and reactivity of polyoxometalates: a theoretical perspective

X. López, J. J. Carbó, C. Bo and J. M. Poblet, Chem. Soc. Rev., 2012, 41, 7537
DOI: 10.1039/C2CS35168D

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