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Theoretical investigation of the EPR spectrum of the cyclopropyl radical

✍ Scribed by Vincenzo Barone; Camilla Minichino; Henry Faucher; Robert Subra; André Grand

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
601 KB
Volume
205
Category
Article
ISSN
0009-2614

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✦ Synopsis

A general quantum-mechanical protocol recently introduced for the theoretical study of non-rigid radicals has been used in the investigation of the structure, inversion rate, and EPR spectrum of the cyclopropyl radical. The results are in close agreement with experiment and can be interpreted in terms of the interplay between the variation of the potential energy and the different properties along the inversion coordinate.

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