Calculation of vibrational deactivation of HF(1 ⩽n ⩽ 7) by DF(0) and of DF(1 ⩽ n ⩽ 7) by HF(0)

Vibrational Energy Transfer Rates Using a Forced Harmonic Oscillator Model

“…First of all, because it remains based on the simple collision model, the FHO model does not account for strong vibration-rotation coupling, important for vibrational energy transfer in hydrogen and in hydrogen halides. 42 Further, the model cannot be expected to predict V -V -T probabilities for reactive collisions or for collisions involving nonadiabatic electronic transitions, as presumably occurs in NO -NO. 43 Also, the FHO model, in its present form, cannot predict the probabilities of transitions induced by multipole -multipole attractive forces, which are known to strongly affect the V -V probabilities for CO -CO and CO -N 2 at low temperatures.…”

“…(5) and (6). On the other hand, the FOPT probability (42) substantially increases as the vibrational energy defect in the process (40) which is much greater than unity at temperatures lower than T ; 5000 K. At higher temperatures, when V -T probabilities sharply increase, the bottleneck no longer exists, and therefore the FHO and the FOPT rates become comparable (see Fig. 14).…”

“…(42) and (43)] includes a pure V -T virtual step, which has a very low probability amplitude at room temperature and serves as a bottleneck for the entire pathway, with a total probability being approximately [see Eqs. where « and r are given by Eqs.…”

Scientific Contributions of Gert Due Billing

“…Prior to 1990, many of his applications were focused on studies of energy transfer processes. [27][28][29][30][31][32][33][34][35][36] Billing and coworkers investigated energy transfer processes in a wide range of systems, such as He-H 2 , 5,37 H 2 -H 2 , [38][39][40][41][42][43][44][45][46][47] Li + -H 2 , 48 H 2 /D 2 -4 He, 49 HF-HF/DF, [50][51][52][53][54][55][56][57] CO-N 2 , 58-61 N 2 -N 2 , 62-66 CO-CO, 67-73 Li + -CO 2 /N 2 O, 17 N 2 -CO 2 , 19,74 CO-He, [75][76][77][78][79] CO-D 2 , 80,81 CO 2 -Ne/He, 15,21,82,83 In the late 1980s, Billing shifted the focus of his research to reactive scattering. In a series of five papers, [114][115][116][117][118] he extended the classical path method to treat reactive scattering.…”

“…These were published in a series of 14 papers in Chemical Physics . − In addition, Billing made great effort to implement his theory so that it could be applied to various problems. Prior to 1990, many of his applications were focused on studies of energy transfer processes. − Billing and co-workers investigated energy transfer processes in a wide range of systems, such as He−H 2 , , H 2 −H 2 , − Li + −H 2 , H 2 /D 2 − 4 He, HF−HF/DF, − CO−N 2 , − N 2 −N 2 , − CO−CO, − Li + −CO 2 /N 2 O, N 2 −CO 2 , , CO−He, − CO−D 2 , ,…”