KCs分子A1Sigma + ~ b3Pi复合物的傅里叶变换光谱和耦合道解扰处理
Fourier transform spectroscopy and coupled-channel deperturbation treatment of the A1Sigma+ ~ b3Pi complex of KCs molecule
摘要：
用傅里叶变换光谱仪在近红外区记录了KCs二聚体的激光诱导荧光（LIF）光谱A1 Sigma ~ b3 Pi-> X1 Sigma+，光谱分辨率为0.03cm ~（-1）。总共有200多个LIF光谱被旋转分配到39 K133 Cs和41 K133 Cs同位素异构体产生的不确定性为0.003-0.01 cm-1超过3400强混合的单重态A1 Sigma+和三重态b3 Pi的旋转振动项值。实验数据从单重态的最低振动能级v_A=0开始，非均匀地覆盖能量范围从10040到13250 cm-1，转动量子数J从7到225。除了占主导地位的规则的A1 Sigma + ~ b3 POmega =0相互作用外，还发现和分析了弱的和局域的非均匀的A1 S + ~ b3 POmega =1相互作用。在4 × 4哈密顿量的唯象框架下，对A1 S + ~ b3 P复合物的39 K ~（133）Cs实验e宇称项进行了耦合道解微扰分析.由扩展Morse振子模型解析定义的相互作用态的非绝热势能曲线和相应的自旋轨道耦合矩阵元再现了95%的39 K133 Cs同位素异构体的实验数据场，标准偏差为0.004cm-1，这与实验的不确定性是一致的。41 K 133 Cs同位素的预测和实验termsvalues之间的良好的协议，另外证实了衍生参数的可靠性。计算的A ~ b -> X LIF级数的强度分布也与实验结果一致。
英文摘要：
The laser induced fluorescence (LIF) spectra A1Sigma ~ b3Pi --> X1Sigma+ of KCs dimer were recorded in near infrared region by Fourier Transform Spectrometer with a resolution of 0.03 cm-1. Overall more than 200 LIF spectra were rotationally assigned to 39K133Cs and 41K133Cs isotopomers yielding with the uncertainty of 0.003-0.01 cm-1 more than 3400 rovibronic term values of the strongly mixed singlet A1Sigma+ and triplet b3Pi states. Experimental data massive starts from the lowest vibrational level v_A=0 of the singlet and nonuniformly cover the energy range from 10040 to 13250 cm-1 with rotational quantum numbers J from 7 to 225. Besides of the dominating regular A1Sigma+ ~ b3P Omega=0 interactions the weak and local heterogenous A1S+ ~ b3P Omega=1 perturbations have been discovered and analyzed. Coupled-channel deperturbation analysis of the experimental 39K133Cs e-parity termvalues of the A1S+ ~ b3P complex was accomplished in the framework of the phenomenological 4 x 4 Hamiltonian accounting implicitly for regular interactions with the remote states manifold. The resulting diabatic potential energy curves of the interacting states and relevant spin-orbit coupling matrix elements defined analytically by Expanded Morse Oscillators model reproduce 95% of experimental data field of the 39K133Cs isotopomer with a standard deviation of 0.004 cm-1 which is consistent with the uncertainty of the experiment. Reliability of the derived parameters was additionally confirmed by a good agreement between the predicted and experimental termvalues of 41K133Cs isotopomer. Calculated intensity distributions in the A ~ b --> X LIF progressions are also consistent with their experimental counterparts.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
