Experimental energy levels of the water molecule

J  Tennyson; N F  Zobov; R  Williamson; O L  Polyansky; P F  Bernath

Experimental energy levels of the water molecule

J Tennyson, N F Zobov, R Williamson, O L Polyansky, P F Bernath

Chemistry

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

Abstract

Experimentally derived energy levels are presented for 12248 vibration-rotation states of the H-2 O-16 isotopomer of water, more than doubling the number in previous, disparate, compilations. For each level an error and reference to source data is given. The levels have been checked using energy levels derived from sophisticated variational calculations. These levels span 107 vibrational states including members of all polyads up to and including 8v. Band origins, in some cases estimates, are presented for 101 vibrational modes. (C) 2001 American Institute of Physics.

Original language	English
Pages (from-to)	735-831
Number of pages	97
Journal	JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA
Volume	30
Issue number	3
Publication status	Published - 2001

Keywords

band origins
energy levels
rotation
vibration
water
HIGH-RESOLUTION SPECTRUM
INTERACTING VIBRATIONAL-STATES
GROUND ELECTRONIC-STATE
LYING ROTATIONAL LEVELS
HYDROGEN FLAME SPECTRA
LINE POSITIONS
HOT BANDS
POLYATOMIC-MOLECULES
CM-1
(H2O)-O-16

Cite this

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title = "Experimental energy levels of the water molecule",

abstract = "Experimentally derived energy levels are presented for 12248 vibration-rotation states of the H-2 O-16 isotopomer of water, more than doubling the number in previous, disparate, compilations. For each level an error and reference to source data is given. The levels have been checked using energy levels derived from sophisticated variational calculations. These levels span 107 vibrational states including members of all polyads up to and including 8v. Band origins, in some cases estimates, are presented for 101 vibrational modes. (C) 2001 American Institute of Physics.",

keywords = "band origins, energy levels, rotation, vibration, water, HIGH-RESOLUTION SPECTRUM, INTERACTING VIBRATIONAL-STATES, GROUND ELECTRONIC-STATE, LYING ROTATIONAL LEVELS, HYDROGEN FLAME SPECTRA, LINE POSITIONS, HOT BANDS, POLYATOMIC-MOLECULES, CM-1, (H2O)-O-16",

author = "J Tennyson and Zobov, {N F} and R Williamson and Polyansky, {O L} and Bernath, {P F}",

year = "2001",

language = "English",

volume = "30",

pages = "735--831",

journal = "JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA",

issn = "0047-2689",

publisher = "American Institute of Physics",

number = "3",

}

TY - JOUR

T1 - Experimental energy levels of the water molecule

AU - Tennyson, J

AU - Zobov, N F

AU - Williamson, R

AU - Polyansky, O L

AU - Bernath, P F

PY - 2001

Y1 - 2001

N2 - Experimentally derived energy levels are presented for 12248 vibration-rotation states of the H-2 O-16 isotopomer of water, more than doubling the number in previous, disparate, compilations. For each level an error and reference to source data is given. The levels have been checked using energy levels derived from sophisticated variational calculations. These levels span 107 vibrational states including members of all polyads up to and including 8v. Band origins, in some cases estimates, are presented for 101 vibrational modes. (C) 2001 American Institute of Physics.

AB - Experimentally derived energy levels are presented for 12248 vibration-rotation states of the H-2 O-16 isotopomer of water, more than doubling the number in previous, disparate, compilations. For each level an error and reference to source data is given. The levels have been checked using energy levels derived from sophisticated variational calculations. These levels span 107 vibrational states including members of all polyads up to and including 8v. Band origins, in some cases estimates, are presented for 101 vibrational modes. (C) 2001 American Institute of Physics.

KW - band origins

KW - energy levels

KW - rotation

KW - vibration

KW - water

KW - HIGH-RESOLUTION SPECTRUM

KW - INTERACTING VIBRATIONAL-STATES

KW - GROUND ELECTRONIC-STATE

KW - LYING ROTATIONAL LEVELS

KW - HYDROGEN FLAME SPECTRA

KW - LINE POSITIONS

KW - HOT BANDS

KW - POLYATOMIC-MOLECULES

KW - CM-1

KW - (H2O)-O-16

M3 - Article

VL - 30

SP - 735

EP - 831

JO - JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA

JF - JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA

SN - 0047-2689

IS - 3

ER -