Analysis of a tritium enhanced water spectrum between 7200 and 7245 cm -1 using new variational calculations

Michael J. Down; Jonathan Tennyson; Masanori Hara; Yuji Hatano; Kaori Kobayashi

doi:10.1016/j.jms.2013.05.016

Analysis of a tritium enhanced water spectrum between 7200 and 7245 cm ^-1 using new variational calculations

Michael J. Down, Jonathan Tennyson^*, Masanori Hara, Yuji Hatano, Kaori Kobayashi

^*Corresponding author for this work

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

13 Scopus citations

Abstract

A tritium enhanced water absorption spectrum previously recorded in the 7200-7245 cm^-1 region is analysed. Variational calculations for HTO predict absorption to be dominated by the 2ν₃ vibrational band in this region. New assignment are made for HTO based on this line list with a band origin measured to be at 7236.03 cm^-1. A calculated T₂O line list predicts absorption in this region to be below the experimental detection limit despite the large quantity of tritium present. From 170 lines observed 37 known H₂¹⁶O lines are identified and 111 new HTO assignments are made.

Original language	English
Pages (from-to)	35-40
Number of pages	6
Journal	Journal of Molecular Spectroscopy
Volume	289
DOIs	https://doi.org/10.1016/j.jms.2013.05.016
State	Published - 2013

Keywords

Infrared
Vibration-rotation spectroscopy
Water

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Spectroscopy
Physical and Theoretical Chemistry

Access to Document

10.1016/j.jms.2013.05.016

Cite this

@article{d97fbf459ef346b2b2d50649d573b401,

title = "Analysis of a tritium enhanced water spectrum between 7200 and 7245 cm -1 using new variational calculations",

abstract = "A tritium enhanced water absorption spectrum previously recorded in the 7200-7245 cm-1 region is analysed. Variational calculations for HTO predict absorption to be dominated by the 2ν3 vibrational band in this region. New assignment are made for HTO based on this line list with a band origin measured to be at 7236.03 cm-1. A calculated T2O line list predicts absorption in this region to be below the experimental detection limit despite the large quantity of tritium present. From 170 lines observed 37 known H216O lines are identified and 111 new HTO assignments are made.",

keywords = "Infrared, Vibration-rotation spectroscopy, Water",

author = "Down, {Michael J.} and Jonathan Tennyson and Masanori Hara and Yuji Hatano and Kaori Kobayashi",

note = "Funding Information: Michael J Down thanks NERC for a studentship. This work is supported by ERC Advanced Investigator Project 267219. We also acknowledge the help of N.F. Zobov in attaining the D 2 O PES employed here. Kaori Kobayashi is grateful for the financial support received from a Grant-in-Aid by the Ministry of Education, Culture, Sport, Science and Technology of Japan ( 18760635 , 20049002 ) and the joint research program of the Hydrogen Isotope Research Center, University of Toyama. ",

year = "2013",

doi = "10.1016/j.jms.2013.05.016",

language = "英語",

volume = "289",

pages = "35--40",

journal = "Journal of Molecular Spectroscopy",

issn = "0022-2852",

publisher = "Academic Press Inc.",

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TY - JOUR

T1 - Analysis of a tritium enhanced water spectrum between 7200 and 7245 cm -1 using new variational calculations

AU - Down, Michael J.

AU - Tennyson, Jonathan

AU - Hara, Masanori

AU - Hatano, Yuji

AU - Kobayashi, Kaori

N1 - Funding Information: Michael J Down thanks NERC for a studentship. This work is supported by ERC Advanced Investigator Project 267219. We also acknowledge the help of N.F. Zobov in attaining the D 2 O PES employed here. Kaori Kobayashi is grateful for the financial support received from a Grant-in-Aid by the Ministry of Education, Culture, Sport, Science and Technology of Japan ( 18760635 , 20049002 ) and the joint research program of the Hydrogen Isotope Research Center, University of Toyama.

PY - 2013

Y1 - 2013

N2 - A tritium enhanced water absorption spectrum previously recorded in the 7200-7245 cm-1 region is analysed. Variational calculations for HTO predict absorption to be dominated by the 2ν3 vibrational band in this region. New assignment are made for HTO based on this line list with a band origin measured to be at 7236.03 cm-1. A calculated T2O line list predicts absorption in this region to be below the experimental detection limit despite the large quantity of tritium present. From 170 lines observed 37 known H216O lines are identified and 111 new HTO assignments are made.

AB - A tritium enhanced water absorption spectrum previously recorded in the 7200-7245 cm-1 region is analysed. Variational calculations for HTO predict absorption to be dominated by the 2ν3 vibrational band in this region. New assignment are made for HTO based on this line list with a band origin measured to be at 7236.03 cm-1. A calculated T2O line list predicts absorption in this region to be below the experimental detection limit despite the large quantity of tritium present. From 170 lines observed 37 known H216O lines are identified and 111 new HTO assignments are made.

KW - Infrared

KW - Vibration-rotation spectroscopy

KW - Water

UR - http://www.scopus.com/inward/record.url?scp=84879835673&partnerID=8YFLogxK

U2 - 10.1016/j.jms.2013.05.016

DO - 10.1016/j.jms.2013.05.016

M3 - 学術論文

AN - SCOPUS:84879835673

SN - 0022-2852

VL - 289

SP - 35

EP - 40

JO - Journal of Molecular Spectroscopy

JF - Journal of Molecular Spectroscopy

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