CONFIGURATIONS OF CYCLODODECA-1,2,4,5,7,8,10,11-OCTAENE AND ITS OCTAMETHYL DERIVATIVE

Authors
YAVARI I NORISHARGH D BAHARFAR R HEKMATSHOAR R NOROUZIARASI H
Citation
I. Yavari et al., CONFIGURATIONS OF CYCLODODECA-1,2,4,5,7,8,10,11-OCTAENE AND ITS OCTAMETHYL DERIVATIVE, Journal of chemical research. Synopses, (10), 1997, pp. 376-377
Citations number
11
Categorie Soggetti
Chemistry
Journal title
Journal of chemical research. Synopses → ACNP
ISSN journal
03082342
Issue
10
Year of publication
1997
Pages
376 - 377
Database
ISI
SICI code
0308-2342(1997):10<376:COCAIO>2.0.ZU;2-Y
Abstract
MNDO, AM1 and PM3 semi-empirical SCF MO calculations are used to calcu late the structure optimization and configurational properties of cycl ododeca-1,2,4,5,7,8,10, 11-octaene (1) and its octamethyl derivative ( 2); the combination of four allenic units of the same chirality yields an enantiomeric pair of D-4 symmetry, which is the most stable config uration of 1 and 2.