AB-INITIO STUDY OF STABILITY AND STRAIN OF CYCLOPROPANE AND ITS DERIVATIVES

Authors
LIU BL KANG DS
Citation
Bl. Liu et Ds. Kang, AB-INITIO STUDY OF STABILITY AND STRAIN OF CYCLOPROPANE AND ITS DERIVATIVES, Journal of chemical information and computer sciences, 34(2), 1994, pp. 418-420
Citations number
9
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
34
Issue
2
Year of publication
1994
Pages
418 - 420
Database
ISI
SICI code
0095-2338(1994)34:2<418:ASOSAS>2.0.ZU;2-A
Abstract
The peculiar properties of the three-membered ring (C3 ring) in cyclop ropane and its derivatives are due to characteristic bonding and elect ronic effects. Contraction of the atomic orbitals (AO's) composing the C-C bonding molecular orbitals (MO's) of a1 symmetry favors stability of the C3 ring. Expansion of the e' HOMO AO's contributes to the form ation of peripheral ''pseudo-pi bonds''. The stability of the C3 ring also correlates with substitution of the ring.