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.

Autor:	Ulenikov, Oleg, Bekhtereva, Elena, Gromova, Olga, Kakaulin, Aleksei, Sydow, Christian, Bauerecker, Sigurd
Předmět:	MOLECULAR magnetic moments DIPOLE interactions MOLECULES FREE radicals DIPOLE moments
Zdroj:	International Journal of Molecular Sciences; Aug2023, Vol. 24 Issue 16, p12734, 18p
Abstrakt:	A new effective dipole moment model for the XY2 ( C 2 v −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" Δ K a = 2 transitions of the ν 3 band of the OClO free radical molecule. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
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