화학공학소재연구정보센터
Chemistry Letters, Vol.34, No.6, 750-751, 2005
Localization of electrons: Blue-shifting hydrogen bonds
A theory of electron localization is developed. Localization is caused by the interaction of an occupied orbital with a vacant orbital. Electrons localize in the occupied orbital rather than delocalize from the occupied orbital to the overlap region. The localization is substantiated by the contraction of the CH bond length of HnCF4-n with the fluorination and successfully applied to the blue-shifting hydrogen bonding of fluoroform with dimethyl ether.