Investigations of the Rg-BrCl (Rg = He, Ne, Ar, Kr, Xe) binary van der Waals complexes: ab initio intermolecular potential energy surfaces, vibrational states and predicted pure rotational transition frequencies

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• 作者：Song Li^a ; ^{lsong@yangtzeu.edu.cn} ; Rui Zheng^b ; Shan-Jun Chen^a ; Yan Chen^a ; Peng Chen^a
• 关键词：Rg-BrCl ; Potential energy surfaces ; Equilibrium parameters ; Vibrational states ; Transition frequencies ; Spectroscopic constants
• 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
• 出版年：2017
• 出版时间：5 March 2017
• 年：2017
• 卷：174
• 期：Complete
• 页码：105-117
• 全文大小：2900 K
• 卷排序：174

文摘

The ab initio intermolecular PESs of Rg-BrCl are constructed. Characteristics of the PESs are identified. Intermolecular vibrational states are assigned. Transition frequencies and spectroscopic constants are predicted.