Improved Theory of the Effective Dipole Moments and Absolute Line Strengths of the XY2 Asymmetric Top Molecules in the X2B1 Doublet Electronic States

Improved Theory of the Effective Dipole Moments and Absolute Line Strengths of the XY2 Asymmetric Top Molecules in the X2B1 Doublet Electronic States

Bibliografische gegevens
Parent link:	International Journal of Molecular Sciences.— .— Basel: MDPI AG Vol. 24, iss. 16.— 2023.— Article number 12734, 19 p.
Andere auteurs:	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
Samenvatting:	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
Gepubliceerd in:	2023
Onderwerpen:	asymmetric top molecules in non-singlet electronic states spin–rotation interactions absolute line strengths effective dipole moment operator электронный ресурс труды учёных ТПУ
Online toegang:	http://earchive.tpu.ru/handle/11683/132518 https://doi.org/10.3390/ijms241612734
Formaat:	Elektronisch Hoofdstuk
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=680446

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