High resolution infrared synchrotron study of CH2D81Br: ground state constants and analysis of the ν5, ν6 and ν9 fundamentals

Publication: Research - peer-reviewConference article – Annual report year: 2012

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High resolution infrared synchrotron study of CH2D81Br: ground state constants and analysis of the ν5, ν6 and ν9 fundamentals. / Baldacci, A.; Stoppa, P.; Visinoni, R.; Larsen, René Wugt.

In: Molecular Physics, Vol. 110, No. 17 (special issue), 2012, p. 2063-2069.

Publication: Research - peer-reviewConference article – Annual report year: 2012

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Baldacci, A.; Stoppa, P.; Visinoni, R.; Larsen, René Wugt / High resolution infrared synchrotron study of CH2D81Br: ground state constants and analysis of the ν5, ν6 and ν9 fundamentals.

In: Molecular Physics, Vol. 110, No. 17 (special issue), 2012, p. 2063-2069.

Publication: Research - peer-reviewConference article – Annual report year: 2012

Bibtex

@article{e425aa46606b438890e3902a2a303210,
title = "High resolution infrared synchrotron study of CH2D81Br: ground state constants and analysis of the ν5, ν6 and ν9 fundamentals",
keywords = "CH2DBr, FTIR spectroscopy, Rovibrational analysis, Molecular parameters, Coriolis interaction",
publisher = "Taylor & Francis Ltd.",
author = "A. Baldacci and P. Stoppa and R. Visinoni and Larsen, {René Wugt}",
year = "2012",
doi = "10.1080/00268976.2012.683886",
volume = "110",
number = "17 (special issue)",
pages = "2063--2069",
journal = "Molecular Physics",
issn = "0026-8976",

}

RIS

TY - CONF

T1 - High resolution infrared synchrotron study of CH<sub>2</sub>D<sup>81</sup>Br: ground state constants and analysis of the ν<sub>5</sub>, ν<sub>6</sub> and ν<sub>9 </sub>fundamentals

A1 - Baldacci,A.

A1 - Stoppa,P.

A1 - Visinoni,R.

A1 - Larsen,René Wugt

AU - Baldacci,A.

AU - Stoppa,P.

AU - Visinoni,R.

AU - Larsen,René Wugt

PB - Taylor & Francis Ltd.

PY - 2012

Y1 - 2012

N2 - <p>The high resolution infrared absorption spectrum of CH<sub>2</sub>D<sup>81</sup>Br has been recorded by Fourier transform spectroscopy in the range 550–1075 cm1, with an unapodized resolution of 0.0025 cm<sup>-1</sup>, employing a synchrotron radiation source. This spectral region is characterized by the ν<sub>6</sub> (593.872 cm<sup>-1</sup>), ν<sub>5</sub> (768.710 cm<sup>-1</sup>) and ν<sub>9</sub> (930.295 cm<sup>-1</sup>) fundamental bands. The ground state constants up to sextic centrifugal distortion terms have been obtained for the first time by ground-state combination differences from the three bands and subsequently employed for the evaluation of the excited state parameters. Watson’s A-reduced Hamiltonian in the I<sup>r</sup> representation has been used in the calculations. The ν<sub>6</sub>=1 level is essentially free from perturbation whereas the ν<sub>5</sub>=1 and ν<sub>9</sub>=1 states are mutually interacting through α-type Coriolis coupling. Accurate<br/> spectroscopic parameters of the three excited vibrational states and a high-order coupling constant which takes into account the interaction between ν5 and ν9 have been determined.</p>

AB - <p>The high resolution infrared absorption spectrum of CH<sub>2</sub>D<sup>81</sup>Br has been recorded by Fourier transform spectroscopy in the range 550–1075 cm1, with an unapodized resolution of 0.0025 cm<sup>-1</sup>, employing a synchrotron radiation source. This spectral region is characterized by the ν<sub>6</sub> (593.872 cm<sup>-1</sup>), ν<sub>5</sub> (768.710 cm<sup>-1</sup>) and ν<sub>9</sub> (930.295 cm<sup>-1</sup>) fundamental bands. The ground state constants up to sextic centrifugal distortion terms have been obtained for the first time by ground-state combination differences from the three bands and subsequently employed for the evaluation of the excited state parameters. Watson’s A-reduced Hamiltonian in the I<sup>r</sup> representation has been used in the calculations. The ν<sub>6</sub>=1 level is essentially free from perturbation whereas the ν<sub>5</sub>=1 and ν<sub>9</sub>=1 states are mutually interacting through α-type Coriolis coupling. Accurate<br/> spectroscopic parameters of the three excited vibrational states and a high-order coupling constant which takes into account the interaction between ν5 and ν9 have been determined.</p>

KW - CH2DBr

KW - FTIR spectroscopy

KW - Rovibrational analysis

KW - Molecular parameters

KW - Coriolis interaction

U2 - 10.1080/00268976.2012.683886

DO - 10.1080/00268976.2012.683886

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 17 (special issue)

VL - 110

SP - 2063

EP - 2069

ER -