Ro–vibrational analysis of the 12C2H2D2-cis molecule spectra in the region of 1150–1450 cm−1: The ν12, ν3, 2ν10 and ν810 bands

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, Yu V. Konova, A. N. Kakaulin, C. Sydow, S. Bauerecker

Результат исследований: Материалы для журналаСтатья

Аннотация

High–resolution infrared spectra of the 12C2H2D2-cis molecule were analyzed in the region of 1150–1450 cm−1, where the strongly interacting ν12(B1), ν3(A1), 2ν10(A1) and ν810(A2) bands are located. For these four bands 5594 transitions with maximum values of quantum numbers Jmax=50 and Ka max=21 were assigned. This number is more than 2.7 times higher than in previous studies; transitions of the ν3 and ν810 bands have been assigned for the first time. The obtained information was used in the weighted fit with the goal to determine parameters of the effective Hamiltonian. The obtained set of 89 varied parameters reproduces the 1546 initial ro–vibrational energies (5594 transitions) with the drms=2.59×10−4 cm−1. A list of the assigned transitions is presented as the Supplementary material.

Язык оригиналаАнглийский
Номер статьи107021
ЖурналJournal of Quantitative Spectroscopy and Radiative Transfer
Том250
DOI
СостояниеОпубликовано - 1 июл 2020

ASJC Scopus subject areas

  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Spectroscopy

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