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The E (3)Pi-X (3)Delta transition of jet-cooled TiO observed in absorption

TitleThe E (3)Pi-X (3)Delta transition of jet-cooled TiO observed in absorption
Publication TypeJournal Article
Year of Publication2002
AuthorsKobayashi, K, Hall, GE, Muckerman, JT, Sears, TJ, Merer, AJ
JournalJournal of Molecular Spectroscopy
Volume212
Pagination133-141
Date PublishedApr
Type of ArticleArticle
ISBN Number0022-2852
Keywords0, 0 BAND, DOUBLING PARAMETERS, electronic absorption spectroscopy, ELECTRONIC STATES, ENERGIES, FOURIER-TRANSFORM SPECTROSCOPY, laser spectroscopy, MOLECULES, RESOLUTION, ROTATIONAL ANALYSIS, TITANIUM MONOXIDE, titanium oxide, VO
Abstract

The (0,0) and (1,0) bands of the E(3)Pi-X (3)Delta 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 (TiO)-Ti-48. 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 (3)Sigma(-) state are also presented. They indicate that the D (3)Sigma(-) state is not a very low-lying state. (C) 2002 Elsevier Science (USA).

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