The High-Resolution Infrared Spectrum of 1,2,4-Triazine Vapor between 550 and 1700 cm(-1)

The Fourier transform gas-phase IR spectrum of 1,2,4-triazine between 550 and 1700 cm(-1) was measured with a resolution of ca. 0.003 cm(-1). Comparing with the liquid-phase IR and Raman spectra and using ab initio predictions, most of the fundamental bands of 1,2,4-triazine below 1600 cm(-1) were a...

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Bibliographic Details
Published in:Journal of molecular spectroscopy 1999-11, Vol.198 (1), p.77-93
Main Authors: Thastum Bach D, Hegelund, F, Beukes, JA, Nicolaisen, FM, Palmer, MH
Format: Article
Language:English
Online Access:Get full text
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Summary:The Fourier transform gas-phase IR spectrum of 1,2,4-triazine between 550 and 1700 cm(-1) was measured with a resolution of ca. 0.003 cm(-1). Comparing with the liquid-phase IR and Raman spectra and using ab initio predictions, most of the fundamental bands of 1,2,4-triazine below 1600 cm(-1) were assigned. From the high-resolution gas-phase spectra, 12 of the fundamental bands were analyzed by the Watson Hamiltonian model to yield upper state spectroscopic constants. A number of local resonances were identified and explained. From a simultaneous ground state combination difference analysis of four of the bands, a set of ground state rotational and centrifugal distortion constants were obtained. Copyright 1999 Academic Press.
ISSN:0022-2852
DOI:10.1006/jmsp.1999.7935