Improved effective dipole moment model for axially symmetric C3v molecules: Parallel (A←A) bands

• Published in: Journal of quantitative spectroscopy & radiative transfer 2024-09, Vol.324, Article 109066
• Main Authors: Ulenikov, Oleg N., Bekhtereva, Elena S., Gromova, Olga V., Sidko, Sergey S., Bauerecker, Sigurd
• Format: Article
• Language: English
• Subjects: Absolute line strengths; C3v- symmetry molecule; Effective dipole moment operators
• ISSN: 0022-4073; 1879-1352
• DOI: 10.1016/j.jqsrt.2024.109066

The new improved effective dipole moment model is derived for molecules of the axial C3v symmetry. The obtained result is, on the one hand, of the same order of efficiency but much simpler and clearer in applications in comparison with previous models derived on the basis of the irreducible tensorial sets theory and, on the other hand, mathematically more correct in comparison with concepts like the Herman–Walles function. Symmetric ro–vibrational bands of the mentioned molecule types are considered in the present study with taking into account the fourth order centrifugal corrections to the main effective dipole moment operator both for”allowed“ and ”forbidden“ transitions. •The new effective dipole moment model is derived for C3v symmetry molecules.•Symmetrized dipole moment operators are constructed up to the fourth order centrifugal corrections.•Matrix elements of all dipole moment operators of both allowed and forbidden transitions are obtained in a simple form for parallel type band in C3v symmetry molecules.