Vibration-rotational matrix elements for infrared transitions of diatomic molecules |
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Affiliation: | 1. Shandong Engineering Research Centre of Municipal Sludge Disposal, Advanced Materials Institute, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250014, China;2. Institute of Circular Economy, Beijing University of Technology, Beijing 100124, China |
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Abstract: | Theoretical expressions for the vibro-rotational matrix elements corresponding to i.r. transitions vJ→v′J′ with v ⩽ v ′ ⩽ v + 6 are obtained in terms of quadratic polynomials in m, including contributions from the Dunham potential energy parameters a1 to a5 and from dipole-moment expansion coefficients M0 to M7. The formalism has been applied to vibrational transitions in the ground electronic state of CO and HCl. The Herman-Wallis coefficients have been derived for the bands 0-0 to 0-4 of CO and 0-0 to 0-6 of HCl and are compared with experimental data. |
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