The Dipole Moments of Molecules Containing Two Movable Dipoles

摘要

The average dipole moment of a molecule containing two movable dipoles has been calculated as a function of temperature and restriction to internal rotation for three different potential functions. The potential functions used are: (V0/2)(cos phgr;+1), (V0/pgr;)(pgr;mdash;phgr;) andV0/pgr;2(pgr;mdash;phgr;)2, whereV0is the difference in potential energy between thecisandtransforms of the molecule and phgr; is the angle between the planes containing the dipoles and the axis of rotation. Values of the integral0pgr;cosxthinsp;explpar;minus;bx2rpar;dxare tabulated for values ofbranging from 0 to 2 at intervals of 0.1. The dipole moments ofshyphen;dichlorohyphen;ethane, 1,2hyphen;bromohyphen;chlorohyphen;ethane andshyphen;dibromohyphen;ethane as a function of temperature are used with the three potential functions to determine values ofV0. The values thus obtained are compared with the values obtained by other methods.