Citation: Jian Hua ZHOU, Shao Kun WANG, Zhi Jun YU, Hai Hui JIANG, Yue Shu GU. Quasiclassical Trajectory Study of Collisional Energy Transfer between Highly Excited C₆F₆ and N₂,O₂ and Ground State C₆F₆[J]. Chinese Chemical Letters, ;2003, 14(12): 1317-1320. shu

Quasiclassical Trajectory Study of Collisional Energy Transfer between Highly Excited C₆F₆ and N₂,O₂ and Ground State C₆F₆

1.
Department of Chemical Engineering, Shandong Institute of Light Industry, Jinan 250100;
2.
School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100

Received Date: 13 December 2002

Quasiclassical trajectory calculation (QCT) is used frequently for studying collisional energy transfer between highly vibrationally excited molecules and bath gases. In this paper, the QCT of the energy transfer between highly vibrationally excited C₆F₆ and N₂,O₂ and ground state C₆F₆ were performed. The results indicate that highly vibrationally excited C₆F₆ transferred vibrational energy to vibrational distribution of N₂, O₂and ground state C₆F₆, so they are V-V energy transfer. Especially it is mainly V-V resonance energy transfer between excited C₆F₆ and ground state C₆F₆, excited C₆F₆ transfers more vibrational energy to ground state C₆F₆ than to N₂ and O₂. The values of QCT,-<△E_vib>of excited C₆F₆ are smaller than those of experiments.
- QCT calculation,
- highly vibrationally excited state,
- collisional energy transfer
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