On the tunneling instability of a hypercoordinated carbocation.
نویسنده
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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ورودعنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 17 26 شماره
صفحات -
تاریخ انتشار 2015