AM1 method study of the thermolyses of aryl t-butylamines

The thermolyses of N- t-butylaniline, N- t-butyl- p-anisidine and N- t-butyl- p-nitroaniline have been investigated using the AM1 molecular orbital method. The results obtained show that these compounds are thermally decomposed into isobutylene and arylamines through a unimolecular elimination invol...

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 1995-06, Vol.336 (1), p.85-90
Main Authors: Hong, San-Guo, Wang, Shen
Format: Article
Language:English
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Summary:The thermolyses of N- t-butylaniline, N- t-butyl- p-anisidine and N- t-butyl- p-nitroaniline have been investigated using the AM1 molecular orbital method. The results obtained show that these compounds are thermally decomposed into isobutylene and arylamines through a unimolecular elimination involving polar four-center cyclic transition states.
ISSN:0166-1280
1872-7999
DOI:10.1016/0166-1280(95)91279-H