Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.2772620
Title: Infrared multiphoton induced isomerization and dissociation of FCN, ClCN, and BrCN in liquid Ar: A classical simulation study
Authors: Zhang, M.
Gong, J. 
Ma, A.
Rice, S.A.
Issue Date: 2007
Citation: Zhang, M., Gong, J., Ma, A., Rice, S.A. (2007). Infrared multiphoton induced isomerization and dissociation of FCN, ClCN, and BrCN in liquid Ar: A classical simulation study. Journal of Chemical Physics 127 (14) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.2772620
Abstract: We report the results of classical mechanics simulations of infrared multiphoton induced control of isomerization of FCN, ClCN, and BrCN in liquid Ar, using ab initio potential energy and dipole moment surfaces for the XCN molecules. The field induced isomerization and fragmentation dynamics of these molecules are found to be different from that of HCN in liquid Ar. In particular, the scheme that provides complete controlled conversion of HCN to CNH in liquid Ar fails to generate complete conversion of XCN to CNX in liquid Ar for X=F,Cl,Br. It is suggested that the sources of the differences in behavior arise from differences in the spectra of vibrational nonlinear resonances in HCN and XCN and to the occurrence of monodromy in the dynamics of the XCN molecules. © 2007 American Institute of Physics.
Source Title: Journal of Chemical Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/96935
ISSN: 00219606
DOI: 10.1063/1.2772620
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