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Fourier transform infrared spectroscopy of BH3 with the first identification of the ν4 band
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 2020-09-01 , DOI: 10.1016/j.jms.2020.111352
Kentarou Kawaguchi

Abstract High-resolution Fourier transform infrared spectra of the ν4 bands of 11BH3 and 10BH3 have been analyzed by taking into account Coriolis interaction between the v4=1 and v2=1 states in the 900-1300 cm-1 region. The main parameters thus obtained are the band origin ν4=1196.022(1), the rotational constant B4=7.9759(2), C4=3.84033(9), the first-order Coriolis coupling constant Cζ4=-0.3255(2), the Coriolis interaction constant D24(∼(2)1/2Bζ24)=7.7065(3) cm-1 for 11BH3, and ν4=1201.805(7) B4=7.9662(7), C4=3.8466(3), Cζ4=-0.3282(8), D24=7.631(1) cm-1 for 10BH3 with one standard deviation in parentheses. The ν2 band of 10BH was analyzed for the first time to determine ν2=1159.409(2), B2=7.8259(8), C2=3.8887(2) cm-1 and other constants. The observed absorption line intensities of the ν4 and ν2 bands were explained by using the ratio of the transition moments μ4/μ2=0.4. Assignments in the ν3 bands of 11BH3 and 10BH3 were extended with a set of newly determined ground state constants.

中文翻译:

BH3 的傅里叶变换红外光谱首次识别出 ν4 波段

摘要 考虑了 900-1300 cm-1 区域内 v4=1 和 v2=1 态之间的科里奥利相互作用,分析了 11BH3 和 10BH3 的 ν4 波段的高分辨率傅里叶变换红外光谱。由此得到的主要参数为能带原点ν4=1196.022(1)、旋转常数B4=7.9759(2)、C4=3.84033(9)、一阶科里奥利耦合常数Cζ4=-0.3255(2)、科里奥利11BH3 的相互作用常数 D24(∼(2)1/2Bζ24)=7.7065(3) cm-1, ν4=1201.805(7) B4=7.9662(7), C4=3.8466(3), Cζ4=-0.3282(8) ),对于 10BH3,D24=7.631(1) cm-1,括号中为一个标准偏差。首次分析了10BH的ν2带,确定ν2=1159.409(2)、B2=7.8259(8)、C2=3.8887(2) cm-1等常数。ν4 和 ν2 波段观察到的吸收线强度通过使用跃迁矩的比值 μ4/μ2=0.4 来解释。11BH3 和 10BH3 的 ν3 带中的分配通过一组新确定的基态常数进行了扩展。
更新日期:2020-09-01
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