Chemical Physics Letters ( IF 2.8 ) Pub Date : 2020-01-09 , DOI: 10.1016/j.cplett.2020.137099 L.M. Wei , P. Li , Wenrui Duan , Huihui Yang , Yanni Wen , Facheng Jin
The dispersion coefficients of Zn-RG complexes are calculated from that of Zn2 and rare gas dimers through the well-established combining rules. Based on the assumption that the corresponding states principle is valid for group 12 and rare gas complexes, that is the reduced potential energy curves of Zn-RG and Hg-RG have the same shape, the ground state van der Waals potentials of Zn-RG can then be determined by the Tang-Toennies potential model. The present potentials of Zn-RG are compared with previous theoretical and experimental results. The spectroscopic constants of Zn-RG are derived from their potentials respectively.
中文翻译:
Zn-RG配合物的基态范德华势(RG = He,Ne,Ar,Kr,Xe)
Zn-RG配合物的分散系数是通过良好建立的组合规则由Zn 2和稀有气体二聚体计算得到的。基于相应的态原理适用于第12组和稀有气体络合物的假设,即Zn-RG和Hg-RG的还原势能曲线具有相同的形状,Zn-RG的基态范德华势然后可以由Tang-Toennies势模型确定。Zn-RG的当前电势与以前的理论和实验结果进行了比较。Zn-RG的光谱常数分别由其电势得出。