The E 3Π-X 3Δ transition of jet-cooled TiO observed in absorption

Kaori Kobayashi, Gregory E. Hall, James Muckerman, Trevor J. Sears, Anthony J. Merer

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

The (0,0) and (1,0) bands of the E 3Π-X 3Δ transition of TiO in the near-infrared have been recorded by frequency modulated laser absorption spectroscopy in a laser ablation/free jet expansion source. The observed linewidths (FWHM) varied from 300 to 500 MHz according to the expansion conditions and are dominated by residual Doppler broadening in the unskimmed source. Data for the (0,0) band have been obtained for TiO molecules containing all the naturally occurring Ti isotopes but, for the weaker (1,0) band, only for 48TiO. Rotational constants for the two upper state vibrational levels were derived by fitting the data to an effective Hamiltonian; equilibrium parameters have been calculated. The experimental results are compared to the results of ab initio calculations on the E-X system. Ab initio results for the b-a system and for the lowest 3Σ- state are also presented. They indicate that the D 3Σ- state is not a very low-lying state.

Original languageEnglish
Pages (from-to)133-141
Number of pages9
JournalJournal of Molecular Spectroscopy
Volume212
Issue number2
DOIs
Publication statusPublished - 2002

Fingerprint

Hamiltonians
Laser spectroscopy
Doppler effect
Laser ablation
Full width at half maximum
Absorption spectroscopy
Isotopes
Linewidth
expansion
free jets
Infrared radiation
laser spectroscopy
vibrational states
laser ablation
Molecules
absorption spectroscopy
isotopes
molecules

Keywords

  • Electronic absorption spectroscopy
  • Laser spectroscopy
  • Titanium oxide

ASJC Scopus subject areas

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

Cite this

The E 3Π-X 3Δ transition of jet-cooled TiO observed in absorption. / Kobayashi, Kaori; Hall, Gregory E.; Muckerman, James; Sears, Trevor J.; Merer, Anthony J.

In: Journal of Molecular Spectroscopy, Vol. 212, No. 2, 2002, p. 133-141.

Research output: Contribution to journalArticle

Kobayashi, Kaori ; Hall, Gregory E. ; Muckerman, James ; Sears, Trevor J. ; Merer, Anthony J. / The E 3Π-X 3Δ transition of jet-cooled TiO observed in absorption. In: Journal of Molecular Spectroscopy. 2002 ; Vol. 212, No. 2. pp. 133-141.
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N2 - The (0,0) and (1,0) bands of the E 3Π-X 3Δ transition of TiO in the near-infrared have been recorded by frequency modulated laser absorption spectroscopy in a laser ablation/free jet expansion source. The observed linewidths (FWHM) varied from 300 to 500 MHz according to the expansion conditions and are dominated by residual Doppler broadening in the unskimmed source. Data for the (0,0) band have been obtained for TiO molecules containing all the naturally occurring Ti isotopes but, for the weaker (1,0) band, only for 48TiO. Rotational constants for the two upper state vibrational levels were derived by fitting the data to an effective Hamiltonian; equilibrium parameters have been calculated. The experimental results are compared to the results of ab initio calculations on the E-X system. Ab initio results for the b-a system and for the lowest 3Σ- state are also presented. They indicate that the D 3Σ- state is not a very low-lying state.

AB - The (0,0) and (1,0) bands of the E 3Π-X 3Δ transition of TiO in the near-infrared have been recorded by frequency modulated laser absorption spectroscopy in a laser ablation/free jet expansion source. The observed linewidths (FWHM) varied from 300 to 500 MHz according to the expansion conditions and are dominated by residual Doppler broadening in the unskimmed source. Data for the (0,0) band have been obtained for TiO molecules containing all the naturally occurring Ti isotopes but, for the weaker (1,0) band, only for 48TiO. Rotational constants for the two upper state vibrational levels were derived by fitting the data to an effective Hamiltonian; equilibrium parameters have been calculated. The experimental results are compared to the results of ab initio calculations on the E-X system. Ab initio results for the b-a system and for the lowest 3Σ- state are also presented. They indicate that the D 3Σ- state is not a very low-lying state.

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