Issue 40, 2013

Dynamic behaviour of carbocations on zeolites: mobility and rearrangement of the C4H7+ system

Abstract

The mobility and rearrangement of the C4H7+ system over Chabazite were studied using ab initio molecular dynamics. The results indicated the high mobility of the cations, which can rearrange within picosecond time intervals. Experimental studies of nucleophilic substitution supported the theoretical findings.

Graphical abstract: Dynamic behaviour of carbocations on zeolites: mobility and rearrangement of the C4H7+ system

Article information

Article type
Communication
Submitted
24 Jan 2013
Accepted
15 Mar 2013
First published
26 Mar 2013

Chem. Commun., 2013,49, 4480-4482

Dynamic behaviour of carbocations on zeolites: mobility and rearrangement of the C4H7+ system

D. P. Kling, E. S. A. Machado, H. C. Chagas, A. P. A. dos Santos, N. Rosenbach, J. Walkimar Carneiro and C. J. A. Mota, Chem. Commun., 2013, 49, 4480 DOI: 10.1039/C3CC40627J

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