Sb. Sverchinskaya et al., POTENTIAL FUNCTIONS OF INTERNAL-ROTATION AND ELECTRIC PARAMETERS OF ATOMS OF ETHANE MOLECULES AND ITS HALOGENATED DERIVATIVES, Russian chemical bulletin, 44(7), 1995, pp. 1215-1222
Based on the previously suggested approximate quantum mechanical descr
iption of potential functions of internal rotation and the calculation
method, the regions of values of atomic charges and moments of ethane
molecules and its halogenated derivatives have been found. They descr
ibe simultaneously experimental potential functions of internal rotati
on and dipole moments of molecules with an accuracy comparable to the
experimental one. Potentials of internal rotation for some unstudied m
olecules of the series of halogenated derivatives of ethane have been
predicted.