### Abstract

The water vapour line broadening and shifting for 97 lines in the ν_{1} + ν_{2} + ν_{3} band induced by hydrogen pressure are measured with Bruker IFS 125 HR FTIR spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm^{−1} and in a wide pressure range of H_{2}. The calculations of the broadening γ and shift δ coefficients were performed in the semi-classical method framework with use of an effective vibrationally depended interaction potential. Two potential parameters were optimised to improve the quality of calculations. Good agreements with measured broadening coefficients were achieved. The comparison of calculated broadening coefficients γ with the previous measurements is discussed. The analytical expressions that reproduce these coefficients for rotational, ν_{2}, ν_{1}, and ν_{3} vibrational bands are presented.

Original language | English |
---|---|

Pages (from-to) | 1409-1420 |

Number of pages | 12 |

Journal | Molecular Physics |

Volume | 116 |

Issue number | 10 |

DOIs | |

Publication status | Published - 19 May 2018 |

### Fingerprint

### Keywords

- Fourier transform spectroscopy
- intermolecular potential
- line broadening and shift coefficients
- semi-classical method
- water vapour

### ASJC Scopus subject areas

- Biophysics
- Molecular Biology
- Condensed Matter Physics
- Physical and Theoretical Chemistry

### Cite this

_{2}-broadening and shift parameters of water vapour transitions of the ν

_{1}+ ν

_{2}+ ν

_{3}band.

*Molecular Physics*,

*116*(10), 1409-1420. https://doi.org/10.1080/00268976.2018.1432905

**Measurements and calculations of H _{2}-broadening and shift parameters of water vapour transitions of the ν_{1} + ν_{2} + ν_{3} band.** / Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Deichuli, V. M.; Starikov, V. I.

Research output: Contribution to journal › Article

_{2}-broadening and shift parameters of water vapour transitions of the ν

_{1}+ ν

_{2}+ ν

_{3}band',

*Molecular Physics*, vol. 116, no. 10, pp. 1409-1420. https://doi.org/10.1080/00268976.2018.1432905

_{2}-broadening and shift parameters of water vapour transitions of the ν

_{1}+ ν

_{2}+ ν

_{3}band. Molecular Physics. 2018 May 19;116(10):1409-1420. https://doi.org/10.1080/00268976.2018.1432905

}

TY - JOUR

T1 - Measurements and calculations of H2-broadening and shift parameters of water vapour transitions of the ν1 + ν2 + ν3 band

AU - Petrova, T. M.

AU - Solodov, A. M.

AU - Solodov, A. A.

AU - Deichuli, V. M.

AU - Starikov, V. I.

PY - 2018/5/19

Y1 - 2018/5/19

N2 - The water vapour line broadening and shifting for 97 lines in the ν1 + ν2 + ν3 band induced by hydrogen pressure are measured with Bruker IFS 125 HR FTIR spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm−1 and in a wide pressure range of H2. The calculations of the broadening γ and shift δ coefficients were performed in the semi-classical method framework with use of an effective vibrationally depended interaction potential. Two potential parameters were optimised to improve the quality of calculations. Good agreements with measured broadening coefficients were achieved. The comparison of calculated broadening coefficients γ with the previous measurements is discussed. The analytical expressions that reproduce these coefficients for rotational, ν2, ν1, and ν3 vibrational bands are presented.

AB - The water vapour line broadening and shifting for 97 lines in the ν1 + ν2 + ν3 band induced by hydrogen pressure are measured with Bruker IFS 125 HR FTIR spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm−1 and in a wide pressure range of H2. The calculations of the broadening γ and shift δ coefficients were performed in the semi-classical method framework with use of an effective vibrationally depended interaction potential. Two potential parameters were optimised to improve the quality of calculations. Good agreements with measured broadening coefficients were achieved. The comparison of calculated broadening coefficients γ with the previous measurements is discussed. The analytical expressions that reproduce these coefficients for rotational, ν2, ν1, and ν3 vibrational bands are presented.

KW - Fourier transform spectroscopy

KW - intermolecular potential

KW - line broadening and shift coefficients

KW - semi-classical method

KW - water vapour

UR - http://www.scopus.com/inward/record.url?scp=85042919762&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85042919762&partnerID=8YFLogxK

U2 - 10.1080/00268976.2018.1432905

DO - 10.1080/00268976.2018.1432905

M3 - Article

VL - 116

SP - 1409

EP - 1420

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 10

ER -