Hot Bands of Water in the ν 2Manifold up to 5ν 2-4ν 2
Abstract
A spectrum of the hot water molecule has been recorded in emission at a temperature of 1000°C in the region 900 cm-1to 2000 cm-1. A total of 4381 lines were observed; 1750 are assigned, mostly to the ν2, 2ν2- ν2, 3ν2- 2ν2, 4ν2- 3ν2, and 5ν2- 4ν2bands. The 5ν2- 4ν2band has been seen for the first time and the rotational analysis of the other hot bands has been extended to highJandKavalues. The assignment of transitions involving previously unobserved levels was achieved using high accuracyab initioelectronic structure calculations, anab initioadiabatic correction to this potential, and variational nuclear motion calculations of the spectra. The band origin of 5ν2is determined to be 7542.39 cm-1± 0.05 cm-1, significantly different from the value obtained from the "dark state" perturbative treatment.
- Publication:
-
Journal of Molecular Spectroscopy
- Pub Date:
- July 1997
- DOI:
- 10.1006/jmsp.1997.7307
- Bibcode:
- 1997JMoSp.184...35P