Hot bands of water up to 6ν2-5ν2 in the 933-2500 cm-1 region

被引:35
作者
Zobov, NF
Polyansky, OL
Tennyson, J
Lotoski, JA
Colarusso, P
Zhang, KQ
Bernath, PF
机构
[1] Univ London Univ Coll, Dept Phys & Astron, London WC1E 6BT, England
[2] Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada
[3] Univ Waterloo, Dept Phys, Waterloo, ON N2L 3G1, Canada
[4] Russian Acad Sci, Inst Appl Phys, Nizhnii Novgorod 603024, Russia
[5] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
关键词
D O I
10.1006/jmsp.1998.7732
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Emission spectra have been recorded for hot water at temperatures up to 1550 degrees C. Separate spectra have been recorded in the 800-1900 and 1800-2500 cm(-1) range. Assignments are made using a linelist generated from high accuracy, variational nuclear motion calculations, and energy differences. The spectra contain many hot bending transitions of the form (0n0)(0n-10), where states up to n = 6 have been assigned. Detailed analysis shows that the spectra contain lines from 34 separate vibrational bands including other hot bending transitions and the difference bands (030)-(100), (110)-(020), (011)-(020), (100)-(010), (040)-(110), (040)-(011), (120)-(030), (012)-(030), (011)-(100), (110)-(001), and (101)-(110), all of which have not been observed previously. From a total of 8959 lines recorded, 6810 have been assigned; 4556 of these lines are new. These spectra represent the first detection of the (060) vibrational band, for which a band origin of 8870.54 +/- 0.05 cm(-1) is determined. The (050) band origin is confirmed as 7542.40 +/- 0.03 cm(-1). The assignments extend the range of J and K-a values observed for the bending states, particularly for (050) and (060), where 63 and 27 different rotational levels, respectively, have now been observed; 53 frequencies given in HITRAN are corrected. (C) 1999 Academic Press.
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页码:118 / 136
页数:19
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