Issue 14, 2012

PtII as a proton shuttle during C–H bond activation in the Shilov process

Abstract

The C–H activation in Shilov's system on cis- and trans-PtCl2(H2O)(CH4) was investigated by ab initio molecular dynamics in water. Simulations revealed an easy C–H bond cleavage forming a transient 5-coordinated species Pt(H)Cl2(H2O)(CH3) that spontaneously releases a proton to the bulk solution.

Graphical abstract: PtII as a proton shuttle during C–H bond activation in the Shilov process

Supplementary files

Article information

Article type
Communication
Submitted
28 Oct 2011
Accepted
09 Dec 2011
First published
12 Dec 2011

Chem. Commun., 2012,48, 1979-1981

PtII as a proton shuttle during C–H bond activation in the Shilov process

P. Vidossich, G. Ujaque and A. Lledós, Chem. Commun., 2012, 48, 1979 DOI: 10.1039/C2CC16693C

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