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Hot Bands of Water in the ν2Manifold up to 5ν2-4ν2

✍ Scribed by Oleg L. Polyansky; Nick F. Zobov; Jonathan Tennyson; John A. Lotoski; Peter F. Bernath

Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
710 KB
Volume
184
Category
Article
ISSN
0022-2852

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✦ Synopsis

A spectrum of the hot water molecule has been recorded in emission at a temperature of 1000ЊC in the region 900 cm 01 to 2000 cm 01 . A total of 4381 lines were observed; 1750 are assigned, mostly to the n 2 , 2n 2 0 n 2 , 3n 2 0 2n 2 , 4n 2 0 3n 2 , and 5n 2 0 4n 2 bands. The 5n 2 0 4n 2 band has been seen for the first time and the rotational analysis of the other hot bands has been extended to high J and K a values. The assignment of transitions involving previously unobserved levels was achieved using high accuracy ab initio electronic structure calculations, an ab initio adiabatic correction to this potential, and variational nuclear motion calculations of the spectra. The band origin of 5n 2 is determined to be 7542.39 cm 01 { 0.05 cm 01 , significantly different from the value obtained from the ''dark state'' perturbative treatment.

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