High-resolution infrared spectrum and analysis of the ν2 band of CF3Br

Snels, Marcel

doi:10.1016/0022-2852(89)90008-8

Cited by 3 publications

(1 citation statement)

References 15 publications

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“…Among the results of those analyses, the values of several anharmonicity constants, x 1J , x 2J , x 3J and of vibration-rotation interaction constants were obtained [23][24][25][26][27]. Subsequently, with the improvement of the resolving power of Fourier Transform InfraRed (FTIR) spectrometers and the advent of tuneable diode laser (TDL) instrumentation, the rotational structure of the v 1 , v 2 , 2v 3 , 3v 3 − v 3 , v 1 − v 3 , v 2 + v 3 and 2v 0 5 parallel bands was investigated with greater accuracy [28][29][30][31][32][33][34][35], and the vibrational excited states, v 1 = 1; v 2 = 1; v 3 = 1, 2, 3; v 2 = v 3 = 1 and v 5 = 2 0 , were better characterised. Anyway, the very dense rotational structure, the simultaneous presence of absorption features due to 79 Br and 81 Br isotopologues in almost equal proportion and the absorptions of hot bands, make the ro-vibrational analysis of the high-resolution IR spectra very complex.…”

Section: Introductionmentioning

confidence: 99%

The ro-vibrational analysis of thev₄fundamental band of CF₃Br from jet-cooled diode laser and FTIR spectra in the 8.3-μm region

et al. 2014

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2014) The ro-vibrational analysis of the v 4 fundamental band of CF 3 Br from jetcooled diode laser and FTIR spectra in the 8.3-µm region,The v 4 fundamental band of CF 3 79 Br and CF 3 81 Br, present in natural isotopic abundance, was investigated in the 8.3-μm region by high-resolution infrared spectroscopic techniques. Tuneable diode laser spectra were recorded in the ranges 1202.5-1205.0 cm −1 , 1208.0-1210.1 cm −1 and 1212.5-1214.5 cm −1 . The tuneable diode laser spectra were obtained at the reduced temperature of 200 K and in a free-jet expansion. The latter technique was used to reduce spectral congestion, achieving a rotational temperature of about 50 K, with a resolution up to 0.0008 cm −1 . A Fourier transform infrared spectrum covering the entire spectral region of the v 4 band, between 1190 and 1220 cm −1 , was recorded at 298 K with a resolution of 0.004 cm −1 . The experimental wavenumbers from the different spectroscopic techniques were combined to accomplish the complete ro-vibrational analysis of v 4 . In total, 4651 transitions were assigned to CF 3 79 Br, 4047 to CF 3 81 Br, with J max = K max =80; of these, 3171 for CF 3 79 Br and 2755 for CF 3 81 Br are from diode laser measurements. The data of each isotopologue were analysed using the model Hamiltonian for a degenerate vibrational state of a molecule of C 3v symmetry. The v 4 band of both the isotopologues resulted essentially unperturbed, but the l = k = ±2 l-resonance was found to be active within the v 4 = 1 state. Precise values of the vibrational energy and of the ro-vibrational parameters of v 4 = 1 for CF 3 79 Br and CF 3 81 Br were obtained. The bromine isotopic splitting amounts to 6.9 × 10 −3 cm −1 . In addition, the equilibrium geometry and the harmonic force field were calculated ab initio using the large-size basis set def2-QZVP in conjunction to the PBE0 functional.

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Section: Introductionmentioning

confidence: 99%

The ro-vibrational analysis of thev₄fundamental band of CF₃Br from jet-cooled diode laser and FTIR spectra in the 8.3-μm region

et al. 2014

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Jet-cooled diode laser spectrum and FTIR integrated band intensities of CF₃Br: rovibrational analysis of 2ν₅and ν₂ + ν₃bands near 9 μm and cross-section measurements in the 450–2500 cm⁻¹region

Charmet¹,

Tasinato²,

Stoppa³

et al. 2008

Molecular Physics

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The crystal structure of CBrF₃by high-resolution powder neutron diffraction

1992

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High-resolution infrared spectrum and analysis of the ν2 band of CF3Br

Cited by 3 publications

References 15 publications

The ro-vibrational analysis of thev₄fundamental band of CF₃Br from jet-cooled diode laser and FTIR spectra in the 8.3-μm region

The ro-vibrational analysis of thev₄fundamental band of CF₃Br from jet-cooled diode laser and FTIR spectra in the 8.3-μm region

Jet-cooled diode laser spectrum and FTIR integrated band intensities of CF₃Br: rovibrational analysis of 2ν₅and ν₂ + ν₃bands near 9 μm and cross-section measurements in the 450–2500 cm⁻¹region

The crystal structure of CBrF₃by high-resolution powder neutron diffraction

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High-resolution infrared spectrum and analysis of the ν2 band of CF3Br

Cited by 3 publications

References 15 publications

The ro-vibrational analysis of thev4fundamental band of CF3Br from jet-cooled diode laser and FTIR spectra in the 8.3-μm region

The ro-vibrational analysis of thev4fundamental band of CF3Br from jet-cooled diode laser and FTIR spectra in the 8.3-μm region

Jet-cooled diode laser spectrum and FTIR integrated band intensities of CF3Br: rovibrational analysis of 2ν5and ν2 + ν3bands near 9 μm and cross-section measurements in the 450–2500 cm−1region

The crystal structure of CBrF3by high-resolution powder neutron diffraction

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The ro-vibrational analysis of thev₄fundamental band of CF₃Br from jet-cooled diode laser and FTIR spectra in the 8.3-μm region

The ro-vibrational analysis of thev₄fundamental band of CF₃Br from jet-cooled diode laser and FTIR spectra in the 8.3-μm region

Jet-cooled diode laser spectrum and FTIR integrated band intensities of CF₃Br: rovibrational analysis of 2ν₅and ν₂ + ν₃bands near 9 μm and cross-section measurements in the 450–2500 cm⁻¹region

The crystal structure of CBrF₃by high-resolution powder neutron diffraction