Cl2^＋离子P支高激发振转态的跃迁谱线  

P-Branch Transitonal Spectral Lines of High-Lying Rovibrational States of Cl_2^+Ion

作　　者：张春国 樊群超 王雨露 付佳 范志祥[2] ZHANG Chun-guo FAN Qun-chao WANG Yu-lu FU Jia FAN Zhi-xiang(Research Center for Advanced Computation, School of Science, Xihua University, Chengdu 610039, China Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China)

机构地区：[1]西华大学理学院,先进计算研究中心,四川成都610039 [2]四川大学原子与分子物理研究所,四川成都610065

出　　处：《光谱学与光谱分析》2017年第9期2703-2711,共9页Spectroscopy and Spectral Analysis

基　　金：国家自然科学基金项目(11204244);四川省大学生创新创业训练计划项目(201610623005);西华大学重点科研基金项目(Z1513323);研究生创新基金项目(ycjj2016101)资助

摘　　要：基于描述双核分子体系包含转动光谱常数Lv所在高阶项在内的跃迁能谱的经典表达式,采用差分收敛法(DCM)的物理思想,推导获得了求解双核分子体系P支跃迁谱线的另一解析表达形式。对于某一双核分子体系的P支跃迁带,新的谱线表达式仅需要11条精确的实验跃迁谱线就可以正确预言高激发振转态的谱线结构,同时,利用谱线展开系数C还可以进一步给出计算谱线的不确定度以更可靠地预言高激发振转态的跃迁谱线。推导获得了相应的计算公式以正确获得对应跃迁带的转动光谱常数(B_(v′),B_(v″),D_(v′),D_(v″),H_(v′),H_(v″),L_(v′),L_(v″))。应用新的谱线表达式,对^(35) Cl_2^+和^(35) Cl ^(37) Cl^+离子电子态A^2Π_u-X^2Π_g(Ω=1/2)跃迁体系(3,7)跃迁带的P支跃迁谱线进行了详细研究,获得的计算结果不但能完全重复已知的实验数据,还获得了实验上未能获得的包含高激发振转态在内的跃迁谱线。另外,通过计算同时也得到了各跃迁带的高阶转动光谱常数。该研究方法和计算结果为人们进一步正确认识Cl_2^+离子电子态的内部能级结构及物理化学的相关性质提供了更完整的参考数据。An analytical formula is derived from conventional expression of transition spectra containing higher terms rovibrational spectral constants Lvbased on the difference converging method（DCM）,which can calculate the accurate P-branch spectral lines of rovibrational transitions in some diatomic molecules systems.Based on the DCM method,agroup of eleven known experimental transition lines is needed and a set of expansion coefficients C is chosen to predict correct transitional spectra of highlying rovibrational states for a P-branch transition b and of a diatomic system.In this study,the transitional spectral lines of high-lying excited states which may not be available experimentally and the rotational spectral constants of the corresponding transition b and s were obtained correctly by using the DCM method for the（3,7）b and of A^2Π_u-X^2Π_g（Ω=1/2）transiton of the^（35） Cl2^＋ and ^（35） Cl ^（37） Cl2^＋ions.The calculated data can provide a better reference for the further underst and ing of the internal structure and physical and chemical properties of electronic states of the Cl2^＋ion.

关 键 词：Cl2^+离子 差分收敛法 跃迁谱线 

分 类 号：O433.2[机械工程—光学工程]