Microwave spectrum and quadrupole coupling constants of 13CF3Br

Chakrabarti, Satyajit; Jaman, A.I.

doi:10.1016/s0022-2860(02)00080-7

Cited by 4 publications

(2 citation statements)

References 27 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The band contour simulation evidenced that the v 4 band is affected by the l = k = ±2 l-type resonance. The rotational spectrum in the ground state (GS) of 13 CF 3 Br was analysed too, by means of radiofrequency-MW double-resonance and conventional MW techniques [41].…”

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

View full text Add to dashboard Cite

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.

show abstract

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

View full text Add to dashboard Cite

show abstract

“…Concerning the microwave and the millimetre regions, the 12 C species has been extensively analyzed in the past [10 -15] thus leading to the determination of the dipole moment and to an accurate set of ground state constants for both the 79/81 Br isotopologues; the bromine nuclear quadrupole constants have been theoretically investigated employing several DFT and hybrid HF/DFT methods [16]. Recently also the 13 C species have been studied [17] employing both radiofrequency-microwave double resonance (RFMWDR) and conventional microwave spectroscopic techniques.…”

Section: Introductionmentioning

confidence: 99%

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

View full text Add to dashboard Cite

CBrF3

Hirota

Iijima

Kuchitsu

et al.

Molecules Containing One or Two Carbon Atoms

View full text Add to dashboard Cite

Microwave spectrum and quadrupole coupling constants of 13CF3Br

Cited by 4 publications

References 27 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

CBrF3

Contact Info

Product

Resources

About

Microwave spectrum and quadrupole coupling constants of 13CF3Br

Cited by 4 publications

References 27 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

CBrF3

Contact Info

Product

Resources

About

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