화학공학소재연구정보센터
Journal of Chemical Physics, Vol.100, No.2, 891-898, 1994
Spectral-Line Shape-Parameters Far HF in a Bath of Ar Are Accurately Predicted by a Potential Inferred from Spectra of the Van-der-Waals Dimer
An interaction potential for Ar-HF, which was recently determined from extensive spectroscopic data. for the van der Waals dimer and which includes dependence on the HF vibrational state, has been used with accurate close-coupling molecular scattering calculations to predict line shape parameters for the pure rotational and the fundamental and first overtone vibrational bands of HF in a bath of Ar. Agreement with experiment is good; in fact, considering inconsistencies among the experimental values; the theoretical values may be the more reliable. This confirms the accuracy of the Ar-HF interaction potential, including the dependence on the HF vibrational level which is sensitively probed by the line shift cross sections.