TY - JOUR

T1 - Structures of Vibrational Absorption Bands of the SiF4 Molecule in a Low-Temperature Nitrogen Matrix

AU - Tokhadze, I.K.

AU - Kolomiitsova, T.D.

AU - Tokhadze, K.G.

AU - Shchepkin, D.N.

PY - 2014

Y1 - 2014

N2 - We have studied the IR absorption spectra of diluted mixtures SiF4/M = 1/6000–1/10 000 in an N2 matrix at 11 K (for comparison, the spectra of SiF4 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 ν3 band of the SiF4 (28SiF, 29SiF4, and 30SiF4) isotopologues of the SiF4 molecule and in the range of the ν1 + ν4, ν2 + ν3, and ν1 + ν3 bands of 28SiF4, whereas, in the range of the 2ν3 band of 28SiF, a triplet appears. In order to analyze the influence of the matrix on the spectrum of free SiF4 molecules, we have used a model that makes it possible to successively calculate (i) the spectrum of SiF4 in terms of the model of local modes, (ii) the structure of a matrix composed by 864 N2 molecules + a rigid SiF4 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 d

AB - We have studied the IR absorption spectra of diluted mixtures SiF4/M = 1/6000–1/10 000 in an N2 matrix at 11 K (for comparison, the spectra of SiF4 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 ν3 band of the SiF4 (28SiF, 29SiF4, and 30SiF4) isotopologues of the SiF4 molecule and in the range of the ν1 + ν4, ν2 + ν3, and ν1 + ν3 bands of 28SiF4, whereas, in the range of the 2ν3 band of 28SiF, a triplet appears. In order to analyze the influence of the matrix on the spectrum of free SiF4 molecules, we have used a model that makes it possible to successively calculate (i) the spectrum of SiF4 in terms of the model of local modes, (ii) the structure of a matrix composed by 864 N2 molecules + a rigid SiF4 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 d

U2 - DOI: 10.1134/S0030400X14100233

DO - DOI: 10.1134/S0030400X14100233

M3 - Article

VL - 117

SP - 525

EP - 533

JO - OPTICS AND SPECTROSCOPY

JF - OPTICS AND SPECTROSCOPY

SN - 0030-400X

IS - 4

ER -