High-Resolution Spectroscopy of Asymmetric Top Molecules in Non-Singlet Electronic States: ν1 + ν3 Band of the ClO2 Molecule

被引:0
|
作者
Bekhtereva, E. S. [1 ]
Kakaulin, A. N. [1 ]
Merkulova, M. A. [1 ]
Gromova, O. V. [1 ]
Konova, Yu. V. [1 ]
Sydow, C. [2 ]
机构
[1] Natl Res Tomsk Polytechn Univ, Tomsk 634050, Russia
[2] Tech Univ Carolo Wilhelmina Braunschweig, Inst Phys & Theoret Chem, D-38106 Braunschweig, Germany
基金
俄罗斯科学基金会;
关键词
molecular spectroscopy; chlorine dioxide; vibrational-rotational Hamiltonian for a doublet electronic state; RO-VIBRATIONAL ANALYSIS; CHLORINE DIOXIDE; INFRARED-SPECTRUM; MICROWAVE-SPECTRUM; ROTATIONAL ANALYSIS; BANDS; REGION; INTENSITIES; FORBIDDEN; CONSTANTS;
D O I
10.1134/S0030400X22080021
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Using a Bruker IFS 125 HR Fourier spectrometer, the high-resolution spectrum of the (OClO)-O-16-Cl-35-O-16 molecule is recorded in the region of the band, in which more than 2000 transitions with the maximum quantum numbers N-max = 59 and K-a(max) = 16 are identified. The obtained experimental data are analyzed based on the model from the work [Phys. Chem. Chem. Phys. 23 (8), 4580-4596 (2021)], which takes into account the existence of spin-rotational interactions in the molecule. The root-mean-square deviation of rotational-vibrational energies from the calculated values for the (101) state was d(rms)= 2.5 x 10(-4) cm(-1), which is 35 times better than the data known from the literature.
引用
收藏
页码:425 / 432
页数:8
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