High resolution Fourier transform infrared spectroscopy of the ground state, ν3,2ν3 and ν4 levels of 13CHF3

Abstract

We report high resolution (δν̃⩽0.001cm^-1) Fourier Transform Infrared (FTIR) spectra of the trifluoromethane (fluoroform) isotopomer ¹³CHF₃ including results from synchrotron based spectroscopy at the Swiss light source (SLS). The analysis is extended to the pure rotational spectra in the Terahertz (far-infrared) range (15–100 cm⁻¹, δν̃_FWHM=0.0006cm^-1), the ν₃ fundamental (ν̃₀=695.292cm^-1), the associated “hot” band 2ν₃-ν₃ providing information on the level 2ν₃ (ν̃₀=1389.807cm^-1) and the ν₄ fundamental (ν̃₀=1369.013cm^-1) coupled to 2ν₃. The results are discussed in relation to the ¹³C isotope effect on the vibrational quantum dynamics as derived by theory and in relation to fluoroform as a greenhouse gas.

Original language	English
Pages (from-to)	96-104
Number of pages	9
Journal	Journal of Molecular Spectroscopy
Volume	337
DOIs	https://doi.org/10.1016/j.jms.2017.05.003
Publication status	Published - 1 Jul 2017

Keywords

13CHF
Fluoroform
FTIR
High resolution infrared spectroscopy
THz

ASJC Scopus subject areas

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

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title = "High resolution Fourier transform infrared spectroscopy of the ground state, ν3,2ν3 and ν4 levels of 13CHF3",

abstract = "We report high resolution (δ{\~ν}⩽0.001cm-1) Fourier Transform Infrared (FTIR) spectra of the trifluoromethane (fluoroform) isotopomer 13CHF3 including results from synchrotron based spectroscopy at the Swiss light source (SLS). The analysis is extended to the pure rotational spectra in the Terahertz (far-infrared) range (15–100 cm−1, δ{\~ν}FWHM=0.0006cm-1), the ν3 fundamental ({\~ν}0=695.292cm-1), the associated “hot” band 2ν3-ν3 providing information on the level 2ν3 ({\~ν}0=1389.807cm-1) and the ν4 fundamental ({\~ν}0=1369.013cm-1) coupled to 2ν3. The results are discussed in relation to the 13C isotope effect on the vibrational quantum dynamics as derived by theory and in relation to fluoroform as a greenhouse gas.",

keywords = "13CHF, Fluoroform, FTIR, High resolution infrared spectroscopy, THz",

author = "Bolotova, {I. B.} and Ulenikov, {O. N.} and Bekhtereva, {E. S.} and S. Albert and Z. Chen and H. Hollenstein and D. Zindel and M. Quack",

year = "2017",

month = jul,

day = "1",

doi = "10.1016/j.jms.2017.05.003",

language = "English",

volume = "337",

pages = "96--104",

journal = "Journal of Molecular Spectroscopy",

issn = "0022-2852",

publisher = "Academic Press Inc.",

}

TY - JOUR

T1 - High resolution Fourier transform infrared spectroscopy of the ground state, ν3,2ν3 and ν4 levels of 13CHF3

AU - Bolotova, I. B.

AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Albert, S.

AU - Chen, Z.

AU - Hollenstein, H.

AU - Zindel, D.

AU - Quack, M.

PY - 2017/7/1

Y1 - 2017/7/1

N2 - We report high resolution (δν̃⩽0.001cm-1) Fourier Transform Infrared (FTIR) spectra of the trifluoromethane (fluoroform) isotopomer 13CHF3 including results from synchrotron based spectroscopy at the Swiss light source (SLS). The analysis is extended to the pure rotational spectra in the Terahertz (far-infrared) range (15–100 cm−1, δν̃FWHM=0.0006cm-1), the ν3 fundamental (ν̃0=695.292cm-1), the associated “hot” band 2ν3-ν3 providing information on the level 2ν3 (ν̃0=1389.807cm-1) and the ν4 fundamental (ν̃0=1369.013cm-1) coupled to 2ν3. The results are discussed in relation to the 13C isotope effect on the vibrational quantum dynamics as derived by theory and in relation to fluoroform as a greenhouse gas.

AB - We report high resolution (δν̃⩽0.001cm-1) Fourier Transform Infrared (FTIR) spectra of the trifluoromethane (fluoroform) isotopomer 13CHF3 including results from synchrotron based spectroscopy at the Swiss light source (SLS). The analysis is extended to the pure rotational spectra in the Terahertz (far-infrared) range (15–100 cm−1, δν̃FWHM=0.0006cm-1), the ν3 fundamental (ν̃0=695.292cm-1), the associated “hot” band 2ν3-ν3 providing information on the level 2ν3 (ν̃0=1389.807cm-1) and the ν4 fundamental (ν̃0=1369.013cm-1) coupled to 2ν3. The results are discussed in relation to the 13C isotope effect on the vibrational quantum dynamics as derived by theory and in relation to fluoroform as a greenhouse gas.

KW - 13CHF

KW - Fluoroform

KW - FTIR

KW - High resolution infrared spectroscopy

KW - THz

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U2 - 10.1016/j.jms.2017.05.003

DO - 10.1016/j.jms.2017.05.003

M3 - Article

AN - SCOPUS:85021837844

VL - 337

SP - 96

EP - 104

JO - Journal of Molecular Spectroscopy

JF - Journal of Molecular Spectroscopy

SN - 0022-2852

ER -

High resolution Fourier transform infrared spectroscopy of the ground state, ν₃,2ν₃ and ν₄ levels of 13CHF₃

Abstract

Keywords

ASJC Scopus subject areas

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