화학공학소재연구정보센터
Journal of Chemical Physics, Vol.121, No.6, 2617-2621, 2004
Far-infrared absorption by collisionally interacting nitrogen and methane molecules
Quantum line shape calculations of the rototranslational enhancement spectra of nitrogen-methane gaseous mixtures are reported. The calculations are based on a recent theoretical dipole function for interacting N-2 and CH4 molecules, which accounts for the long-range induction mechanisms: multipolar inductions and dispersion force-induced dipoles. Multipolar induction alone was often found to approximate the actual dipole surfaces of pairs of interacting linear molecules reasonably well. However, in the case of the N-2-CH4 pair, the absorption spectra calculated with such a dipole function still show a substantial intensity defect at the high frequencies (>250 cm(-1)) when compared to existing measurements at temperatures from 126 to 297 K, much as was previously reported. (C) 2004 American Institute of Physics.