Geometric parameter variations in methyl substituted cyclopropenes

Authors
De Mare, GR Panchenko, YN Abramenkov, AV
Citation
Gr. De Mare et al., Geometric parameter variations in methyl substituted cyclopropenes, RUSS J PH C, 75(11), 2001, pp. 1804-1807
Citations number
13
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY
ISSN journal
00360244 → ACNP
Volume
75
Issue
11
Year of publication
2001
Pages
1804 - 1807
Database
ISI
SICI code
0036-0244(200111)75:11<1804:GPVIMS>2.0.ZU;2-L
Abstract
The theoretical structures of cyclopropene, 1-methylcyclopropene, 1,2-dimet hylcyclopropene, and 3,3-dimethylcyclopropene optimized at the HF/6-3 1G* l evel are juxtaposed with the available experimental data. Some rules govern ing geometric parameter variations in this series of molecules and related molecular characteristics are discussed.