The near ultraviolet rotation-vibration spectrum of water

N F  Zobov; D  Belmiloud; O L  Polyansky; J  Tennyson; S V  Shirin; M  Carleer; A  Jenouvrier; A C  Vandaele; P F  Bernath; M F  Merienne; R  Colin

The near ultraviolet rotation-vibration spectrum of water

N F Zobov, D Belmiloud, O L Polyansky, J Tennyson, S V Shirin, M Carleer, A Jenouvrier, A C Vandaele, P F Bernath, M F Merienne, R Colin

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

A new ab initio linelist of water vibration-rotation transitions extending up to 26 000 cm(-1) is presented. This linelist is used to analyze the near-ultraviolet portion of the long pathlength water absorption spectrum of Carleer [J. Chem. Phys. 111, 2444 (1999)]. A total of 299 of the 568 observed transitions between 21 400 and 25 232 cm(-1) are assigned. These transitions belong to eight excited vibrational states: (4,2)(-)1, (7,0)(+)0, (7,0)(-)0, (6,0)(+)2, (6,0)(-)2, (7,0)(-)1, (8,0)(-)0, and (8,0)(-)0, in local mode notation. Only three of these states have been observed previously. Observed and calculated energy levels are presented for these vibrational states and the band origins are determined. (C) 2000 American Institute of Physics. [S0021-9606(00)01020-5].

Original language	English
Pages (from-to)	1546-1552
Number of pages	7
Journal	Journal of Chemical Physics
Volume	113
Issue number	4
Publication status	Published - 22 Jul 2000

Keywords

POTENTIAL-ENERGY SURFACE
LINE ASSIGNMENTS
VAPOR
ABSORPTION

Cite this

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title = "The near ultraviolet rotation-vibration spectrum of water",

abstract = "A new ab initio linelist of water vibration-rotation transitions extending up to 26 000 cm(-1) is presented. This linelist is used to analyze the near-ultraviolet portion of the long pathlength water absorption spectrum of Carleer [J. Chem. Phys. 111, 2444 (1999)]. A total of 299 of the 568 observed transitions between 21 400 and 25 232 cm(-1) are assigned. These transitions belong to eight excited vibrational states: (4,2)(-)1, (7,0)(+)0, (7,0)(-)0, (6,0)(+)2, (6,0)(-)2, (7,0)(-)1, (8,0)(-)0, and (8,0)(-)0, in local mode notation. Only three of these states have been observed previously. Observed and calculated energy levels are presented for these vibrational states and the band origins are determined. (C) 2000 American Institute of Physics. [S0021-9606(00)01020-5].",

keywords = "POTENTIAL-ENERGY SURFACE, LINE ASSIGNMENTS, VAPOR, ABSORPTION",

author = "Zobov, {N F} and D Belmiloud and Polyansky, {O L} and J Tennyson and Shirin, {S V} and M Carleer and A Jenouvrier and Vandaele, {A C} and Bernath, {P F} and Merienne, {M F} and R Colin",

year = "2000",

month = jul,

day = "22",

language = "English",

volume = "113",

pages = "1546--1552",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

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TY - JOUR

T1 - The near ultraviolet rotation-vibration spectrum of water

AU - Zobov, N F

AU - Belmiloud, D

AU - Polyansky, O L

AU - Tennyson, J

AU - Shirin, S V

AU - Carleer, M

AU - Jenouvrier, A

AU - Vandaele, A C

AU - Bernath, P F

AU - Merienne, M F

AU - Colin, R

PY - 2000/7/22

Y1 - 2000/7/22

N2 - A new ab initio linelist of water vibration-rotation transitions extending up to 26 000 cm(-1) is presented. This linelist is used to analyze the near-ultraviolet portion of the long pathlength water absorption spectrum of Carleer [J. Chem. Phys. 111, 2444 (1999)]. A total of 299 of the 568 observed transitions between 21 400 and 25 232 cm(-1) are assigned. These transitions belong to eight excited vibrational states: (4,2)(-)1, (7,0)(+)0, (7,0)(-)0, (6,0)(+)2, (6,0)(-)2, (7,0)(-)1, (8,0)(-)0, and (8,0)(-)0, in local mode notation. Only three of these states have been observed previously. Observed and calculated energy levels are presented for these vibrational states and the band origins are determined. (C) 2000 American Institute of Physics. [S0021-9606(00)01020-5].

AB - A new ab initio linelist of water vibration-rotation transitions extending up to 26 000 cm(-1) is presented. This linelist is used to analyze the near-ultraviolet portion of the long pathlength water absorption spectrum of Carleer [J. Chem. Phys. 111, 2444 (1999)]. A total of 299 of the 568 observed transitions between 21 400 and 25 232 cm(-1) are assigned. These transitions belong to eight excited vibrational states: (4,2)(-)1, (7,0)(+)0, (7,0)(-)0, (6,0)(+)2, (6,0)(-)2, (7,0)(-)1, (8,0)(-)0, and (8,0)(-)0, in local mode notation. Only three of these states have been observed previously. Observed and calculated energy levels are presented for these vibrational states and the band origins are determined. (C) 2000 American Institute of Physics. [S0021-9606(00)01020-5].

KW - POTENTIAL-ENERGY SURFACE

KW - LINE ASSIGNMENTS

KW - VAPOR

KW - ABSORPTION

M3 - Article

SN - 0021-9606

VL - 113

SP - 1546

EP - 1552

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 4

ER -