What is it about?

Activating C-H bonds using transition metal complexes

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Why is it important?

Activation of an alkane by a metal complexes would enable one to utilize a large amount of light alkanes which are flared at present. However, alkane functionalization requies activation which in turn requires that the metal complex be electron rich. So one has to make alkane binding essential but not significant!

Perspectives

Binding is considered essential for activation of alkane by a metal complex. But binding is not sufficient. Activation requires electron rich metal centres. Binding requires electron poor metal centres. This contrasting behaviour suggests that activation requires minimum binding and maximum electron density on the metal. We have shown this computationally.

Professor Ashoka G Samuelson
Indian Institute of Science

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This page is a summary of: Contrasting electronic requirements for CH binding and CH activation in d6half-sandwich complexes of rhenium and tungsten, Journal of Computational Chemistry, July 2015, Wiley,
DOI: 10.1002/jcc.24002.
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