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Mechanism of the concerted ring expansion of singlet cyclopropyl nitrene

✍ Scribed by Huabin Sun; Chengbu Liu; Liming Zhao; Lu Deng

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 391 KB
Volume: 228
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00921-x

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✦ Synopsis

The isomerization by concerted ring expanding of singlet cyclopropyl nitrene has been studied using the self-consistent field (SCF) method with the 3-21G basis set. The transition state has been obtained. The disrotation-conrotation mechanism has been proposed and discussed with the Woodward-Hoffmann approach. The barrier height for the ring expansion is 38.89 kJ/ mol and the released energy is 232.21 kJ/mol. The relative structure data are given.

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