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Improved Theory of the Effective Dipole Moments and Absolute Line Strengths of the XY(2) Asymmetric Top Molecules in the X(2)B(1) Doublet Electronic States

A new effective dipole moment model for the XY(2) ([Formula: see text] −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...

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Detalles Bibliográficos
Autores principales: Ulenikov, Oleg, Bekhtereva, Elena, Gromova, Olga, Kakaulin, Aleksei, Sydow, Christian, Bauerecker, Sigurd
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10454483/
https://www.ncbi.nlm.nih.gov/pubmed/37628914
http://dx.doi.org/10.3390/ijms241612734
Descripción
Sumario:A new effective dipole moment model for the XY(2) ([Formula: see text] −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” [Formula: see text] transitions of the [Formula: see text] band of the OClO free radical molecule.