硫化铅在19520~22900 cm^(-1)范围内振转光谱的研究  

Rovibronic Spectrum of PbS in 19520-22900 cm^(-1)

作　　者：陈旖旎 陈森 印建平[1] 汪海玲[1] Yini Chen;Ben Chen;Jinping Yin;Hailing Wang(State key laboratory of Precision Spectroscopy,East China Normal University,Shanghai 200241,China)

机构地区：[1]华东师范大学精密光谱科学与技术国家重点实验室,上海200241

出　　处：《Chinese Journal of Chemical Physics》2023年第1期35-40,I0001,共7页化学物理学报（英文）

基　　金：This work was supported by the National Natural Science Foundation of China(No.11674096 and No.11834003).

摘　　要：本文采用了激光消-激光诱导荧光的方法研究了硫化铅在19520~22900 cm^(-1)范围内的振转光谱.基于对测量得到的实验光谱数据分析的基础,本文确认此段光谱为硫化铅的A-X和B-X振转跃迁光谱.通过分析和讨论19520~21090 cm^(-1)范围内的光谱数据,确认该段光谱的上电子态是_(3)Π_(0+)和_(3)Σ_(0+)^(-)态的混合态.其中,^(3)Π_(0+)在该混合态中占主导地位.在22025~22900 cm^(-1)范围内的光谱属于B^(3)Π_(1)−X^(1)Σ^(+)跃迁谱.通过分析实验数据获得了这两个电子跃迁光谱的上下电子态的光谱常数.在理论方面,本文RKR/LEVEL的方法计算了这两个跃迁的振动态之间的弗兰克-康登因子.本文中对实验和计算的结果与已报道的实验和理论结果进行了对比和分析,实验确定了硫化铅的A态是一个混合态,这和Balasubramanian的相对论组态相互作用计算的结果一致,计算得到的弗兰克-康登因子和实验光谱相应跃迁的谱线强度吻合.The rovibronic spectrum of PbS in the range of 19520-22900 cm^(−1) are investigated using the laser ablation-laser induced fluorescence method.The spectra in this range are assigned as the transitions of A−X and B−X according to the spectral analyzation.The upper electronic state of the transition in the range of 19520-22900 cm^(−1) is analyzed and discussed,and it is concluded that the upper state,A,is a mixture of ^(3)Π_(0+) and ^(3)Σ_(0+)^(-) states,the ^(3)Π_(0+) state is in domination.The spectrum in the range of 22025-22900 cm^(−1) is assigned as the B^(3)Π_(1)−X^(1)Σ^(+) transition.The molecular constants of these two transitions are derived from the observed spectra.The Frank-Condon factors(FCFs)of these two transitions are also calculated using the RKR/LEVEL method.All the results are compared with the reported theoretical and experimental results,showing that the A state is a mixing state which is in consistent with Balasubramanian's relativistic configuration interaction calculation result.And our calculated FCFs are in agreement with our recorded spectra.

关 键 词：振转光谱 分子常数 势能曲线 混合态 

分 类 号：TQ134.33[化学工程—无机化工] O641.1[理学—物理化学]