高等学校化学研究 ›› 2001, Vol. 17 ›› Issue (1): 88-94.
On the Energy Transfer of a Colinear OH+ O System
WU Tao1, CHEN Xian-yang1, PENG Jian-bo1, JU Guan-Zhi1,2
- 1. State Key Laboratory of Coordination Chemistry, Coordination Chemistry Institute, Department of Chemistry, Nanjing University, Nanjing 210093, P. R. China;
2. State Key Laboratory of Crystal Material, Shandong University, Jinan 250100, P. R. China
On the Energy Transfer of a Colinear OH+ O System
WU Tao1, CHEN Xian-yang1, PENG Jian-bo1, JU Guan-Zhi1,2
- 1. State Key Laboratory of Coordination Chemistry, Coordination Chemistry Institute, Department of Chemistry, Nanjing University, Nanjing 210093, P. R. China;
2. State Key Laboratory of Crystal Material, Shandong University, Jinan 250100, P. R. China
摘要： A quantum mechanical calculation was performed to study the Translation-Vibration(T-V) energy transfer of a colinear OH+O/OD+O system, for which Delves' coordinates and R-matrix propagatation methods were applied to a Mulius-Blint potential energy surface. The calculated result of the T-V energy transfer probability shows strong oscillation phenomena and the collision delay time of the title system was in the 10-15—10-12 s time scale. The kinetic isotope effect was discussed in this work too.