화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.103, No.30, 6030-6035, 1999
Principal energy transfer pathways in the collision of N2O(0001) with toluene-d(8). A (WKB) semiclassical study
Vibrational energy transfer from N2O(00 degrees) to deuterated toluene has been studied by use of the Wentzel-Kramers-Brillouin (WKB) semiclassical procedure in the distorted-wave approximation in the temperature range of 100-500 K. Energy transfer to the CD stretch modes (v(a)," and II,') on the methyl group of C6D5CD3 is shown to be the principal pathway occurring through long-range interactions. The energy transfer to the CD stretch modes (v(7), v(20), and v(2)) on the benzene ring are found to be of minor importance in removing vibrational energy from N2O(00 degrees 1). Energy transfer to these ring modes is shown to occur through short-range interactions where the energy mismatch is supplied by the translational motion. In all cases, energy transfer probabilities decrease with increasing temperature.