Adiabatic treatment for vibrational predissociation of water dimers with channel interactions

29th International Conference on Photonic, Electronic, and Atomic Collisions

Mineo, H.^1 ; Lin, S.H.^2 ; Fujimura, Y.^2,3

Institute of Atomic and Molecular Science, Academia Sinica, Taipei

115, Taiwan^1

Department of Applied Chemistry, Institute of Molecular Science, Center for Interdisciplinary Molecular Science, National Chiao Tung University, Hsinchu

30010, Taiwan^2

Department of Chemistry, Tohoku University, Sendai, Japan^3

关键词: Adiabatic approximations;    Channel interactions;    Classical trajectories;    Donor and acceptor;    Open channels;    Quantum mechanical;    Symmetric stretching;    Vibrational predissociation;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/11/112013/pdf
DOI  :  10.1088/1742-6596/635/11/112013

来源: IOP

【 摘 要 】

The results of calculated vibrational predissociation (VPD) of water dimers are presented. The VPD processes considered here are the followings: initially closed channel of symmetric stretching mode is excited by one quantum, and dissociate to two open channels of the bending mode excitation by one quantum in the donor and acceptor units. The VPD rate constants are calculated in the quantum mechanical approach under the adiabatic approximation. The channel interactions were taken into account in and between the initial and final states. The results obtained by quantum-mechanical approach are compared with both experimental and semi-classical trajectory calculation results.