On the tunneling instability of a hypercoordinated carbocation.

نویسنده

  • Sebastian Kozuch
چکیده

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.

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عنوان ژورنال:
  • Physical chemistry chemical physics : PCCP

دوره 17 26  شماره 

صفحات  -

تاریخ انتشار 2015