Integral Intensities of Absorption Bands of Silicon Tetrafluoride in the Gas Phase and Cryogenic Solutions: Experiment and Calculation


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oschrems [ at ] awi-bremerhaven.de

Abstract

The spectral characteristics of the SiF4 molecule in the range 3100700 cm1, including the absorption range of the band 3, are studied in the gas phase at P = 0.47 bar and in solutions in liquefied Ar and Kr. In the cryogenic solutions, the relative intensities of the vibrational bands, including the bands of the isotopically substituted molecules, are determined. The absorption coefficients of the combination bands 23, 3 + 1, 3 + 4, and 34 are measured in the solution in Kr. In the gas phase of the one-component system at an elevated pressure of SiF4, the integrated absorption coefficient of the absorption band 3 of the 28SiF4 molecule was measured to be A(3) = 700 ± 30 km/mol. Within the limits of experimental error, this absorption coefficient is consistent with estimates obtained from independent measurements and virtually coincides with the coefficient A(3) = 691 km/mol calculated in this study by the quantum-chemical method MP2(full) with the basis set cc-pVQZ. ©2005 Pleiades Publishing, Inc.



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Eprint ID
12604
DOI 10.1134/1.1870065

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Burtsev, A. P. , Bocharov, V. N. , Ignatov, S. , Kolomiitsova, T. D. , Sennikov, P. , Tokhadze, K. G. , Chuprov, L. A. , Shchepkin, D. N. and Schrems, O. (2005): Integral Intensities of Absorption Bands of Silicon Tetrafluoride in the Gas Phase and Cryogenic Solutions: Experiment and Calculation , Optics and spectroscopy, 98 (2), pp. 227-234 . doi: 10.1134/1.1870065


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