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

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Abstract

Using a Bruker IFS 125 HR Fourier spectrometer, the high-resolution spectrum of the 16O35Cl16O molecule is recorded in the region of the \({{\nu }_{1}} + {{\nu }_{3}}\) band, in which more than 2000 transitions with the maximum quantum numbers Nmax = 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 \({{d}_{{{\text{rms}}}}}\) = 2.5 × 10–4 cm–1, which is 35 times better than the data known from the literature.

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Funding

This work was supported by the Russian Science Foundation (project no. 22-22-00171).

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Authors and Affiliations

  1. National Research Tomsk Polytechnic University, 634050, Tomsk, Russia

    E. S. Bekhtereva, A. N. Kakaulin, M. A. Merkulova, O. V. Gromova & Yu. V. Konova

  2. Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig, D-38106, Braunschweig, Germany

    C. Sydow

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  1. E. S. Bekhtereva
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  2. A. N. Kakaulin
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  3. M. A. Merkulova
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Correspondence to E. S. Bekhtereva.

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Translated by M. Basieva

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Bekhtereva, E.S., Kakaulin, A.N., Merkulova, M.A. et al. High-Resolution Spectroscopy of Asymmetric Top Molecules in Non-Singlet Electronic States: ν1 + ν3 Band of the ClO2 Molecule. Opt. Spectrosc. 130, 425–432 (2022). https://doi.org/10.1134/S0030400X22080021

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