A. Medina et al., ELECTRIC MULTIPOLAR INDUCTION IN THE FAR-INFRARED SPECTRA OF CO IN LIQUID AR - TRANSLATIONAL ROTATIONAL CONTRIBUTIONS AND STATIC CANCELLATION EFFECTS/, The Journal of chemical physics, 108(22), 1998, pp. 9480-9486
We have analyzed by means of molecular dynamics simulations the temper
ature and density dependence of the different pure induced components
of the far-infrared integrated absorption coefficient of CO in Liquid
Ar (an interesting example for which experimental far-infrared spectra
show the existence of high order electric multipolar induction). The
main contribution to these components (for all the thermodynamic condi
tions we elected) comes from the rotation of the diatomic except for d
ipole induced-dipole absorption, where quantitatively rotation and tra
nslation are similar. By studying static cancellation effects separate
ly in rotation and translation, we can assert an interesting result: A
ll those contributions to the integrated absorption coefficient with r
adial decay equal or faster than the first repulsive decay of the solu
te-solvent interaction present enhancement effects and all those decay
ing slower present cancellation effects. (C) 1998 American Institute o
f Physics.