Integral intensities of absorption bands of silicon tetrafluoride in the gas phase and cryogenic solutions: Experiment and calculation
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The spectral characteristics of the SiF4 molecule in the range 3100–700 cm−1, including the absorption range of the band ν3, are studied in the gas phase at P = 0.4–7 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 2ν3, ν3 + ν1, ν3 + ν4, and 3ν4 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 ν3 of the 28SiF4 molecule was measured to be A(ν3) = 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(ν3) = 691 km/mol calculated in this study by the quantum-chemical method MP2(full) with the basis set cc-pVQZ.
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