Improved Theory of the Effective Dipole Moments and Absolute Line Strengths of the XY2 Asymmetric Top Molecules in the X2B1 Doublet Electronic States; International Journal of Molecular Sciences; Vol. 24, iss. 16

Improved Theory of the Effective Dipole Moments and Absolute Line Strengths of the XY2 Asymmetric Top Molecules in the X2B1 Doublet Electronic States; International Journal of Molecular Sciences; Vol. 24, iss. 16

Bibliographic Details
Parent link:International Journal of Molecular Sciences.— .— Basel: MDPI AG
Vol. 24, iss. 16.— 2023.— Article number 12734, 19 p.
Other Authors: Ulenekov (Ulenikov) O. N. Oleg Nikolaevich, Bekhtereva E. S. Elena Sergeevna, Gromova O. V. Olga Vasilievna, Kakaulin A. N. Aleksey Nikolaevich, Sydow Ch. Christian, Bauerecker (Bauerekker) Z. (S.) H. Zigurd (Sigurd) Hermann
Summary:Title screen
A new effective dipole moment model for the XY2 (𝐶2𝑣C2v−symmetry) molecule in a doublet electronic state is derived that includes (as special cases) all currently known models of effective dipole moments for such types of molecules, and allows us to take into account the influence of spin–rotation interactions on the effective dipole moment operator that were not considered in the preceding studies. Necessary for the analysis of absolute line strengths, the matrix elements of this dipole moment operator are derived. A comparison with the previous analog models is made and discussed. The efficiency of the obtained results is illustrated, which have been applied to a set of the “forbidden” Δ𝐾𝑎=2ΔKa=2 transitions of the 𝜈3ν3 band of the OClO free radical molecule
Текстовый файл
Language:English
Published: 2023
Subjects:
asymmetric top molecules in non-singlet electronic states
spin–rotation interactions
absolute line strengths
effective dipole moment operator
электронный ресурс
труды учёных ТПУ
Online Access:http://earchive.tpu.ru/handle/11683/132518
https://doi.org/10.3390/ijms241612734
Format: Electronic Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=680446

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