On the improvement of the rotational structure analysis of13CH3D ground vibrational state

O. N. Ulenikov, E. S. Bekhtereva, M. R. Konova, Yu V. Krivchikova, V. M. Horneman

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The main goal of the present study was to improve the already published rotational structure analysis of the ground vibrational state of the13CH3Dmolecule. To realise that,we recorded high-resolution spectra of a set of the strongly interacting vibrational bands, 2ν3(A1), 2ν6(A1), 2ν6(E), ν2(A1), ν5+ ν6(A1), ν5+ ν6(A2), ν5+ ν6(E) and ν3+ ν6(E). From the analysis of the experimental data, more than 1900 ground state combination differences (GSCD) were determined with Jmax= 18, ΔJmax= 2 and Kmax= 15. The a1/a2splittings of the states with quantum number K = 3 were taken into account. The presence of numerous forbidden transitions allowed us to determine with high accuracy GSCD not only with ΔK = 0, but with ΔK = ± 1, ± 2 and ± 3, as well. Spectroscopic parameters of the ground vibrational state were determined from the joint fit of the obtained GSCD (they are reproduced with drms= 0.00014 cm-1). The 21 highly accurate THz-region transitions which were also used as input data, are reproduced with drms= 47 kHz.

Original languageEnglish
Pages (from-to)2228-2232
Number of pages5
JournalMolecular Physics
Volume111
Issue number14-15
DOIs
Publication statusPublished - 2013

Keywords

  • Ground state rotational structure
  • Monodeuterated methane
  • Spectroscopic parameters

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Biophysics
  • Molecular Biology

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