Isotope effects in the vibrational spectrum of the SF6 molecule

Kolomiĭtsova, T. D.; Kondaurov, V. A.; Sedelkova, E. V.; Shchepkin, D. N.

doi:10.1134/1.1473589

Cited by 16 publications

(11 citation statements)

References 15 publications

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“…Its parameters, such as the 32 SF 6 concentration C M and its integrated intensity I M , were derived using the corresponding 34 SF 6 band as a probe. This is justified from the fact that the 34 S abundance in the natural sample, 4.18% [15], is much smaller than that of the 32 S isotope, 95.06%, making that its contour is hardly disturbed by resonant transition dipole interactions.…”

Section: Resultsmentioning

confidence: 97%

Dimerization constant of SF6 and CF4 in cryosolutions

et al. 2011

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Section: Resultsmentioning

confidence: 97%

Dimerization constant of SF6 and CF4 in cryosolutions

et al. 2011

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“…numerous resonant interactions of absorption bands that form the Fermi diads and triads [8,9]. Therefore, ab initio Table 1.…”

Section: Spectroscopic Overtone Parametersmentioning

confidence: 99%

“…Their comparative analysis with the experiment is difficult, because only total multiplet intensities are reported in the literature [8,9].…”

Section: Spectroscopic Overtone Parametersmentioning

confidence: 99%

Modeling of High-Order Overtone Molecular Vibrations

Gavva

2005

Russ Phys J

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A mathematical model of high-order overtone molecular vibrations based on the modified equation of normal vibrations and operation of direct matrix product is suggested. An algorithm for numerical solving a direct spectroscopic problem for overtones has been constructed together with a computational program. Calculations by this program within the framework of the CNDO/2 quantum-chemical method and method of numerical differentiation with cubic splines are used to carry out a computer experiment on calculation of the high-order overtone vibration intensities for the carbon tetrafluoride molecule and its isotope.

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“…As an example, we can present a comparison of isotope shifts in the IR spectrum of a solution in liquid argon with shifts that were determined from the spectra of the gas phase [2][3][4][5][6][7][8][9] (Table 1). It is important to note that Table 1 presents data for bands that are combined with vibrations that are strong in the dipole absorption.…”

Section: Introductionmentioning

confidence: 99%

Isotope shifts in spectra of molecular liquids

et al. 2016

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In the IR absorption spectra of low-temperature molecular liquids, we have observed anomalously large isotope shifts of frequencies of vibrational bands that are strong in the dipole absorption. The same effect has also been observed in their Raman spectra. At the same time, in the spectra of cryosolutions, the isotope shifts of the same bands coincide with a high accuracy (±(0.1-0.5) cm -1 ) with the shifts that are observed in the spectra of the gas phase. The difference between the spectra of examined low-temperature systems is caused by the occurrence of resonant dipole-dipole interactions between spectrally active identical molecules. The calculation of the band contour in the spectrum of liquid freon that we have performed in this work taking into account the resonant interaction between states of simultaneous transitions in isotopically substituted molecules can explain this effect.

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Isotope effects in the vibrational spectrum of the SF6 molecule

Cited by 16 publications

References 15 publications

Dimerization constant of SF6 and CF4 in cryosolutions

Dimerization constant of SF6 and CF4 in cryosolutions

Modeling of High-Order Overtone Molecular Vibrations

Isotope shifts in spectra of molecular liquids

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