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Structure and High-Resolution IR Spectroscopy of 1,2,4-Triazine Vapor

✍ Scribed by Michael H. Palmer; Robert R.J. Maier; Flemming Hegelund; David A. Newnham

Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
197 KB
Volume
192
Category
Article
ISSN
0022-2852

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✦ Synopsis

The high-resolution infrared bands centered at 769 and 1043 cm Οͺ1 for 1,2,4-triazine C 3 H 3 N 3 have been analyzed, using the full asymmetric rotor Hamilton of Watson in A-reduced form using III r -representation. All the ground state rotation constants and three of the quartic centrifugal distortion constants could be determined with high precision from a simultaneous analysis of the two bands. The standard deviation of fit was 0.00077 cm Οͺ1 . The upper state constants for the two bands have been determined with similar precision. The ground state rotational constants obtained from the present analysis are very similar to those predicted from the ab initio study of the equilibrium structure. This strongly suggests that the similarity in several of the ring bond lengths, predicted in the latter, is indeed real.

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