Quasiclassical Trajectory Study of Collisional Energy Transfer between Highly Excited C_6F_6 and N_2

来源 :Chinese Chemical Letters | 被引量 : 0次 | 上传用户:bmhk1002
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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, O2 and 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 , -〈DEvib〉of excited C6F6 are smaller than those of experiments. 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. results indicate that highly vibrationally excited C6F6 transferred vibrational energy to vibrational distribution of N2, O2 and ground state C6F6, so they are VV energy transfer. Especially it is mainly VV 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, - of excited C6F6 are smaller than those of experiments.
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