The Fourier Transform Infrared Spectra of CH2DF: the v5 and v6 bands

I. A. Atkinson, Mark McGregor Law

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Results of a high-resolution infrared study of the spectroscopy of monodeuterated methyl fluoride, CH2DF are reported for the first time. Spectra ranging from 500 to 3300 cm(-1) have been obtained and cover all the fundamental bands at resolutions down to 0.005 cm(-1). The two lowest energy fundamentals, the nu (5) and nu (6) bands, have been analyzed in detail. Since the molecule has C-s symmetry, in principle both these bands are AB hybrids, since they belong to the irreducible representation A'. However, it was found that both are almost pure A-type bands. A total of 597 A-type lines of the nu (5) band and 619 A-type lines of the nu (6) band have been assigned. Vibrational and rotational spectroscopic constants have been determined by least-squares fitting to the data. An improved band center for nu (7) is also reported. (C) 2001 Academic Press.

Original languageEnglish
Pages (from-to)135-138
Number of pages3
JournalJournal of Molecular Spectroscopy
Volume206
DOIs
Publication statusPublished - 2001

Keywords

  • SPHERICAL POLAR PARAMETRIZATION
  • 2ND-ORDER CORIOLIS RESONANCE
  • GENERAL POLYATOMIC-MOLECULES
  • VIBRATION-ROTATION SPECTRA
  • METHYL-FLUORIDE
  • FORCE-FIELD
  • ROVIBRATIONAL HAMILTONIANS
  • MICROWAVE SPECTROSCOPY
  • CH3F
  • CD2HF

Cite this

The Fourier Transform Infrared Spectra of CH2DF: the v5 and v6 bands. / Atkinson, I. A.; Law, Mark McGregor.

In: Journal of Molecular Spectroscopy, Vol. 206, 2001, p. 135-138.

Research output: Contribution to journalArticle

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abstract = "Results of a high-resolution infrared study of the spectroscopy of monodeuterated methyl fluoride, CH2DF are reported for the first time. Spectra ranging from 500 to 3300 cm(-1) have been obtained and cover all the fundamental bands at resolutions down to 0.005 cm(-1). The two lowest energy fundamentals, the nu (5) and nu (6) bands, have been analyzed in detail. Since the molecule has C-s symmetry, in principle both these bands are AB hybrids, since they belong to the irreducible representation A'. However, it was found that both are almost pure A-type bands. A total of 597 A-type lines of the nu (5) band and 619 A-type lines of the nu (6) band have been assigned. Vibrational and rotational spectroscopic constants have been determined by least-squares fitting to the data. An improved band center for nu (7) is also reported. (C) 2001 Academic Press.",
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AU - Law, Mark McGregor

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N2 - Results of a high-resolution infrared study of the spectroscopy of monodeuterated methyl fluoride, CH2DF are reported for the first time. Spectra ranging from 500 to 3300 cm(-1) have been obtained and cover all the fundamental bands at resolutions down to 0.005 cm(-1). The two lowest energy fundamentals, the nu (5) and nu (6) bands, have been analyzed in detail. Since the molecule has C-s symmetry, in principle both these bands are AB hybrids, since they belong to the irreducible representation A'. However, it was found that both are almost pure A-type bands. A total of 597 A-type lines of the nu (5) band and 619 A-type lines of the nu (6) band have been assigned. Vibrational and rotational spectroscopic constants have been determined by least-squares fitting to the data. An improved band center for nu (7) is also reported. (C) 2001 Academic Press.

AB - Results of a high-resolution infrared study of the spectroscopy of monodeuterated methyl fluoride, CH2DF are reported for the first time. Spectra ranging from 500 to 3300 cm(-1) have been obtained and cover all the fundamental bands at resolutions down to 0.005 cm(-1). The two lowest energy fundamentals, the nu (5) and nu (6) bands, have been analyzed in detail. Since the molecule has C-s symmetry, in principle both these bands are AB hybrids, since they belong to the irreducible representation A'. However, it was found that both are almost pure A-type bands. A total of 597 A-type lines of the nu (5) band and 619 A-type lines of the nu (6) band have been assigned. Vibrational and rotational spectroscopic constants have been determined by least-squares fitting to the data. An improved band center for nu (7) is also reported. (C) 2001 Academic Press.

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KW - GENERAL POLYATOMIC-MOLECULES

KW - VIBRATION-ROTATION SPECTRA

KW - METHYL-FLUORIDE

KW - FORCE-FIELD

KW - ROVIBRATIONAL HAMILTONIANS

KW - MICROWAVE SPECTROSCOPY

KW - CH3F

KW - CD2HF

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