Rotational Analysis of the Ground State and the Lowest Fundamentals ν3, ν5, and ν6 of 13CH3D

O. N. Ulenikov, G. A. Onopenko, N. E. Tyabaeva, R. Anttila, S. Alanko, J. Schroderus

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Abstract

The ν3, ν5, and ν6 fundamental bands of the 13CH3D molecule have been studied with Fourier transform infrared spectroscopy. The spectra and results for the parent species 12CH3D (O. N. Ulenikov, G. A. Onopenko, N. E. Tyabaeva, J. Schroderus, and S. Alanko, J. Mol. Spectrosc. 193, 249-259 (1999)) have been used to assign and analyze about 1900 lines belonging to the 13CH3D isotopic species. About 850 ground state combination differences with ΔK = O were calculated, which allowed us to determine the J-dependent ground state rotational constants. The K-dependent constants as well as those describing the a1-a2 (K = 3) splitting were fixed to the values obtained for the 12CH3D species. The (ν3 = 1), (ν5 = 1), and (ν6 = 1) states were fit simultaneously by including the intervibrational interactions in the Hamiltonian. The rotational energies, the rotational and centrifugal distortion constants, as well as the resonance parameters involving the three states have been determined and discussed.

Original languageEnglish
Pages (from-to)9-17
Number of pages9
JournalJournal of Molecular Spectroscopy
Volume201
Issue number1
DOIs
Publication statusPublished - 1 Jan 2000

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Spectroscopy
  • Physical and Theoretical Chemistry

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