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Spectroscopic analysis of asymmetric top free radicals

Application to pure rotational spectra of NO2 in the ground vibronic state

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Abstract

Several key problems involved in the analyses of spectra of asymmetric top molecules, i.e., the effective Hamiltonian, the representation and basis vector, identification of energy levels, the selection rules, the relative intensity, and Zeeman tuning rate, were elucidated systematically. Introducing the high-order centrifugal distortion terms into the effective Hamiltonian, the precision for calculation has been improved substantially, which allows us to analyze the high-lying rotational transitions. A global analysis of all available spectra of14N16O2 in the ground vibronic state has been made to obtain a set of molecular constants of14N16O2 in the ground vibronic state which is the most precise and extensive so far. Using the improved parameters, some FIR LMR lines left unassigned hitherto have been identified successfully.

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Authors and Affiliations

  1. State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, 430071, Wuhan, China

    Yuyan Liu, Xiaoyong Liu, Hongping Liu, Yuanqing Guo, Guangming Huang, Jieli Lin, Hui Gao & Chuanxi Duan

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  1. Yuyan Liu
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  2. Xiaoyong Liu
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  3. Hongping Liu
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  4. Yuanqing Guo
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  5. Guangming Huang
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  6. Jieli Lin
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  7. Hui Gao
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  8. Chuanxi Duan
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Correspondence to Yuyan Liu.

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Liu, Y., Liu, X., Liu, H. et al. Spectroscopic analysis of asymmetric top free radicals. Sc. China Ser. B-Chem. 44, 7–16 (2001). https://doi.org/10.1007/BF02879730

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  • DOI: https://doi.org/10.1007/BF02879730

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