Raman study of xenon difluoride spectra in aprotic solvents

Abstract There are different theoretical and experimental aspects of solvent influence on solute. Microwave spectroscopy, depolarized Rayleigh scattering and nuclear magnetic resonance are sensitive to this interaction. The most significant information concerning the behaviour of condensed systems in the picosecond region can be obtained from data on vibrational spectroscopy, and Raman spectroscopy in particular. The present work is devoted to the study of the vibrational and rotational motion of xenon difluoride molecules in aprotic solvents such as CH 3 CN, CCl 4 and (CH 3 ) 2 SO. Xenon difluoride is the most widely used fluorinating agent in the chemistry of fluorine. Calculations of vibrational G v (t) and reorientational G R (t) correlation functions as well as the corresponding correlation times were carried out. The mechanisms of vibrational and rotational relaxation for ν 1 (∑ + g ) mode of the XeF 2 molecule in the stated solvents are discussed. A comparison of relaxation process rates was done by taking into account the solvent molecular structure.