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On the tunneling instability of a hypercoordinated carbocation†
Physical Chemistry Chemical Physics Pub Date : 05/26/2015 00:00:00 , DOI:10.1039/C5CP02080H
Abstract

C(CH3)5+, a pentacoordinate carbocation, was recently described as a “fleeting” molecule, that is, stable only at low temperatures. Herein it is shown using theoretical methods that, owing to carbon tunneling, the molecule is not persistent even at 0 K. One possible way to lengthen its lifespan is by deuterium substitution, in spite of the fact that no bond to hydrogen is broken.

Graphical abstract: On the tunneling instability of a hypercoordinated carbocation
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