Analysis of an 18O and D enhanced water spectrum and new assignments for HD18O and D218O in the near-infrared region (6000-7000 cm-1) using newly calculated variational line lists

被引：13

作者：

Down, Michael J. ^{[1
]}

Tennyson, Jonathan ^{[1
]}

Orphal, Johannes ^{[2
]}

Chelin, Pascale ^{[3
,4
]}

Ruth, Albert A. ^{[5
,6
]}

机构：

[1] UCL, Dept Phys & Astron, London WC1E 6BT, England

[2] Karlsruher Inst Technol, IMK ASF, D-76021 Karlsruhe, Germany

[3] Univ Paris Est Creteil, LISA, Creteil, France

[4] Univ Paris Diderot, CNRS UMR 7583, Creteil, France

[5] Natl Univ Ireland Univ Coll Cork, Dept Phys, Cork, Ireland

[6] Natl Univ Ireland Univ Coll Cork, Environm Res Inst, Cork, Ireland

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 2012年 / 282卷

关键词：

Vibration-rotation spectroscopy; Water; Infrared; ROTATIONAL-VIBRATIONAL SPECTRA; IUPAC CRITICAL-EVALUATION; POTENTIAL-ENERGY SURFACE; TRANSITION WAVE-NUMBERS; ABSORPTION-SPECTROSCOPY; MU-M; (H2O)-O-17; POSITIONS; MOLECULE; VAPOR;

D O I：

10.1016/j.jms.2012.09.006

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：

An experimental infrared spectrum due to Orphal and Ruth (2008) [10] recorded using isotopically enriched water in the 6000-7000 cm(-1) region is analysed and assigned. The assignment procedure is based on the use of known transition frequencies for (H2O)-O-16 and (H2O)-O-18, existing variational line lists for (HDO)-O-16 and (D2O)-O-16, and newly calculated variational line lists for (HDO)-O-18 and (D2O)-O-18. These new variational line lists are presented herein. The main absorption comes from (HDO)-O-16 and (HDO)-O-18, for which there are few previous assignments in the region. Assignments to 426 new (HDO)-O-18 lines are presented. In all 3254 of the 4768 lines observed in the spectrum are assigned, resulting in a number of newly determined energy levels. These assignments are in agreement with the recent work of Mikhailenko et al. (2012) [41]. (C) 2012 Elsevier Inc. All rights reserved.

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页码：1 / 8

页数：8

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