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 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.
Thastum Bach D
Department of Chemistry, Aarhus University, Aarhus C, DK-8000, Denmark
Hegelund
F
Beukes
JA
Nicolaisen
FM
Palmer
MH