KCS Publications

HOME > Search > Browsing(BKCS) > Archives

Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 1, Number 1
BKCSDE 1(1)
January 20, 1980

Title	MO Studies on configuration and Conformation (Ⅵ). FMO Interpretation of Nonbonded Interactions
Author	Ikchoon Lee
Keywords
Abstract	Simple rules for predicting nonbonded interactions have been proposed. It was found that an end-to-end nonbonded interaction is either attractive or repulsive depending on the sign of the product of AO coefficients of two end atoms in the HOMO of a closed shell conjugated system with a crowded structure. The nonbonded attraction becomes the greatest in a 4N + 2 electron conjugated system, while it is repulsive in a 4N electron system. For 4N + 1 and 4N - 1 electron systems, it is attractive but the effect is less than that in 4N + 2 system. As a result of the attractive interaction, the overlap population of an atom pair increases (decreases) if the HOMO is antibonding (bonding) for the atom pair. The rules were illustrated with some examples.
Page	4 - 10
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