KCS Publications

HOME > Search > Browsing(BKCS) > Archives

Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 4, Number 4
BKCSDE 4(4)
April 20, 1983

Title	π-Nonbonded Interactions Involving Heteroatoms
Author	Ikchoon Lee, Bon-Su Lee, Kiyull Yang
Keywords
Abstract	Ab initio calculations were performed on systems containing various basic π fragments and glycines to generalize the π-nonbonded interaction (π -NBI) method of determining relative conformational and configurational stability of organic molecules. It was found that the relative stability of conformational isomers can be determined in general by the simple application of the π-NBI method, but the method is not applicable to the geometrical isomerism in which stronger structural factors are involved. The π -NBI effect of a crowded π-structure (nπ/m) is maximum for the system in which n is equal to m. In crowded structures containing heteroatoms, Pπ ij values of 4N + 1 system may become negative, but this sign reversal does not invalidate the predictions based on the π-NBI method.
Page	157 - 161
Full Text	PDF

How to access to the WOL for The Bulletin of the Korean Chemical Society ?

The Bulletin of the Korean Chemical Society will be co-published with Wiley-VCH from 2015 towards. The online version of the Journal will thus be available on Wiley Online Library, Wiley(-VCH)'s global online platform.

KCS members can get a free online access to the Bulletin of the Korean Chemical Society in WOL.

Free Access to WOL