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N-inversion and C–N rotational barriers in HX=CH-NH2 (X=N,P,As) compounds: an ab initio study

✍ Scribed by B.V. Prasad; G. Grover; P. Uppal; D. Kaur

Book ID: 114143105
Publisher: Elsevier Science
Year: 1999
Tongue: English
Weight: 173 KB
Volume: 458
Category: Article
ISSN: 0166-1280
DOI: 10.1016/s0166-1280(98)00191-2

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## Abstract Ab initio SCF calculations were performed to study the conjugation of C, N, Si, and P double bonds with BH~2~ (π‐acceptor) and NH~2~ (π‐donor). The variations of the energy, geometry, and electronic distribution on rotation ZH~2~ groups connected to the double bonds depend greatly on th