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Structures of vibrational absorption bands of the SiF4 molecule in a low-temperature nitrogen matrix

We have studied the IR absorption spectra of diluted mixtures SiF 4 /M = 1/6000–1/10 000 in an N 2 matrix at 11 K (for comparison, the spectra of SiF 4 in Ar and Xe matrices have also been studied). It has been shown that, in solid nitrogen, the appearance of doublets is observed both in the range o...

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Published in:Optics and spectroscopy 2014-10, Vol.117 (4), p.525-533
Main Authors: Tokhadze, I. K., Kolomiitsova, T. D., Tokhadze, K. G., Shchepkin, D. N.
Format: Article
Language:English
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Summary:We have studied the IR absorption spectra of diluted mixtures SiF 4 /M = 1/6000–1/10 000 in an N 2 matrix at 11 K (for comparison, the spectra of SiF 4 in Ar and Xe matrices have also been studied). It has been shown that, in solid nitrogen, the appearance of doublets is observed both in the range of the ν 3 band of the SiF 4 ( 28 SiF, 29 SiF 4 , and 30 SiF 4 ) isotopologues of the SiF 4 molecule and in the range of the ν 1 + ν 4 , ν 2 + ν 3 , and ν 1 + ν 3 bands of 28 SiF 4 , whereas, in the range of the 2ν 3 band of 28 SiF, a triplet appears. In order to analyze the influence of the matrix on the spectrum of free SiF 4 molecules, we have used a model that makes it possible to successively calculate (i) the spectrum of SiF 4 in terms of the model of local modes, (ii) the structure of a matrix composed by 864 N 2 molecules + a rigid SiF 4 molecule using the Monte Carlo method, and (iii) the interaction of matrix particles with local dipole moments in the approximation of dipole-induced dipole and dipole-quadrupole interactions. The model describes satisfactorily the low-frequency shift of bands in the nitrogen matrix. All obtained experimental and theoretical results are consistent with the assumption that two kinds of stable trapping centers of SiF 4 molecules obeying the T d symmetry are realized in the nitrogen matrix.
ISSN:0030-400X
1562-6911
DOI:10.1134/S0030400X14100233