Title of article :
Simple semi-empirical method for evaluating bond polarity in molecular and crystalline halides
Author/Authors :
Batsanov، نويسنده , , Stepan S.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2010
Abstract :
It is suggested to determine the degree of electron transfer between metal M and nonmetal X in MXn halides from equalization of the M ionization potential and the X electron affinity, i.e. from the point of intersection between the curves describing the ionization potential (for metals) and electron affinity (for nonmetals) as a function of ionization degree (bond ionicity).
Keywords :
ionization potential , atomic charge , electron affinity , electronegativity , Bond ionicity
Journal title :
Journal of Molecular Structure
Journal title :
Journal of Molecular Structure