TY - JOUR

T1 - Infrared spectra and structures of SiH4 and GeH4 dimers in low-temperature nitrogen matrixes

AU - Kolomiitsova, T.D.

AU - Savvateev, K.F.

AU - Shchepkin, D.N.

AU - Tokhadze, I.K.

AU - Tokhadze, K.G.

PY - 2015

Y1 - 2015

N2 - © 2014 American Chemical Society.IR absorption spectra of monoisotopic silane 28SiH4 and germane 76GeH4 are studied in nitrogen matrixes at T = 11 K. It is shown that the absorption spectra of silane and germane are similar in the regions of the ν3 stretching and ν4 bending vibrations. A significant influence of a nitrogen matrix on the absorption spectra of XH4 molecules was established. The bands in the ν3 region of silane and germane in a nitrogen matrix are blue-shifted. The spectra of monomer molecules of SiH4 and GeH4 contain a triplet in the stretching region and a doublet in the bending region, which is explained by the change in the molecular symmetry of an XH4 molecule from Td to C3 on passage from the gas phase to solid nitrogen. The calculations of the matrix structure were made by the Monte Carlo method with the ensemble of particles containing the SiH4 molecule and 863 N2 molecules. The calculations predicted a set of equilibrium structures with the C3 symmetry. The structure of the absorption b

AB - © 2014 American Chemical Society.IR absorption spectra of monoisotopic silane 28SiH4 and germane 76GeH4 are studied in nitrogen matrixes at T = 11 K. It is shown that the absorption spectra of silane and germane are similar in the regions of the ν3 stretching and ν4 bending vibrations. A significant influence of a nitrogen matrix on the absorption spectra of XH4 molecules was established. The bands in the ν3 region of silane and germane in a nitrogen matrix are blue-shifted. The spectra of monomer molecules of SiH4 and GeH4 contain a triplet in the stretching region and a doublet in the bending region, which is explained by the change in the molecular symmetry of an XH4 molecule from Td to C3 on passage from the gas phase to solid nitrogen. The calculations of the matrix structure were made by the Monte Carlo method with the ensemble of particles containing the SiH4 molecule and 863 N2 molecules. The calculations predicted a set of equilibrium structures with the C3 symmetry. The structure of the absorption b

U2 - 10.1021/jp5089977

DO - 10.1021/jp5089977

M3 - Article

VL - 119

SP - 2553

EP - 2561

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 11

ER -