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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 20, Number 2
JKCSEZ 20(2)
April 20, 1976 

Direct Non-stepwise Multiple Quantum Excitations in Translation-Vibration Energy Transfer

병진-진동에너지 변환에 있어서의 다량자 직접 진동 여기
Yoo Hang Kim, Hyung Kyu Shin

김유항, 신형규
병진-진동에너지 변환에 있어서 중간에너지 준위를 거치지 않는 직접여기가 다량자 진동천이에 미치는 영향을 이론적으로 조사하였다. 충돌 모형은 직선 충돌이며, 분자간의 포텐셜은 지수함수형의 것을 진동좌표(q)로 전개하고 사차항 (q4)까지 포함시켜 사용하였다. q2, q3, q4를 포함시켰을 때의 천이 확률 (Pm→n)에 대한 일반식을 각각 유도하고, 몇개의 충돌계에 대하여 그 값들을 계산하였다.

Effects of direct multiple quantum excitations in vibrational energy transfer were investigated. Vibrational transition probabilities for 0→2, 0→3, and 0→4 excitations were explicitly formulated including both direct 0→n excitations and stepwise single quantum processes. For the formulation the perturbing force was derived from the exponential potential including terms up to fourth order in the vibrational amplitude. The head-on collinear collision model between a harmonic oscillator and an incident particle was employed, and the formulation was based on the semiclassical approximation. Numerical results were obtained for five different collision systems (Ar…O-N, He…H-H, He…H-Cl, 5…1-2, 2…12-12). Comparison between the present results and those obtained using the linearized interaction potential showed that the overall effect of including the direct multiple quantum transition is to decrease the probabilities at low collision energies and to increase them at high energies. The present results were found to be significantly different from those obtained using the linearized potential for collision systems He…H-H, He…H-Cl, and 5…1-2. For systems Ar…O-N and 2…12-12 the differences were negligible.

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