|
KMID : 1059519850290040356
|
|
Journal of the Korean Chemical Society
1985 Volume.29 No. 4 p.356 ~ p.364
|
|
|
MO Theoretical Studies on Nature and Reality of "Y-Aromaticity"
|
|
Lee Ik-Choon
Lee Bon-Su
Kim Chan-Kyung
|
|
|
Abstract
|
|
|
|
Ab initio calculations with STO-3G method were carried out on isomers of isobutylene dianion and dilithioisobutylene, and geometry, energy and Mulliken population were discussed. Energy of reaction, △E, for isodesmic processes involving these species and relative heats of formation, △Hf, estimated with △E have shown that the contribution of "Y-aromaticity" to the structural stabilization of Y-type dianion is a tenuous one but the alkylation appears to proceed via the Y-type dilithio compound.
|
|
|
KEYWORD
|
|
|
|
|
|
FullTexts / Linksout information
|
|
|
|
|
|
Listed journal information
|
|
|