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Activation of CS2 and CS by ML3 Complexes

Ariafard, Alireza; Brookes, Nigel J; Stranger, Robert; Yates, Brian F


The aim of this study was to determine the best neutral ML3 metal complexes for activating and cleaving the multiple bonds in CS2 and CS. Current experimental results show that, so far, only one bond in CS2 can be cleaved, and that CS can be activated but the bond is not broken. In the work described in this paper, density functional theory calculations have been used to evaluate the effectiveness of different ML 3 complexes to activate the C-S bonds in CS2 and CS, with M = Mo, Re, W, and Ta...[Show more]

CollectionsANU Research Publications
Date published: 2008
Type: Journal article
Source: Journal of the American Chemical Society
DOI: 10.1021/ja800946e


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