Reinvestigation of the Raman spectra of dihydrogen trapped in rare gas solids. I. H2, HD, and D2 monomeric species

Abstract

The vibration–rotation and pure rotational Raman spectra of H2, HD, and D2 trapped in Ar, Kr, and Xe matrices have been recorded at 9 K. The frequencies which have been measured within an accuracy of 0.3 cm−1 are compared to the results of recent calculations. Except for the S0(0) line of HD the agreement between observed and calculated matrix shifts is satisfactory. The anomalous blue shift observed for the S0(0) line of HD is well interpreted within the rotation translation coupling (RTC) framework.