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Issue 26, 2015
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On the tunneling instability of a hypercoordinated carbocation

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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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Publication details

The article was received on 09 Apr 2015, accepted on 26 May 2015 and first published on 26 May 2015


Article type: Communication
DOI: 10.1039/C5CP02080H
Citation: Phys. Chem. Chem. Phys., 2015,17, 16688-16691
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    On the tunneling instability of a hypercoordinated carbocation

    S. Kozuch, Phys. Chem. Chem. Phys., 2015, 17, 16688
    DOI: 10.1039/C5CP02080H

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