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Title: Fourier transform infrared identification of the ν{sub 5}(σ{sub u}) fundamental of SiC{sub 5}Si

Abstract

The Fourier transform infrared spectrum of SiC{sub 5}Si was observed by trapping the vapor from the Nd:YAG laser ablation of sintered Si/C rods in solid Ar at ∼20 K. Measurements of {sup 13}C and {sup 29,30}Si isotopic shifts have enabled the identification of the ν{sub 5}(σ{sub u}) vibrational fundamental of the linear isomer of SiC{sub 5}Si at 1590.8 ± 0.2 cm{sup −1}. The results are in excellent agreement with the predictions of density functional theory calculations at the B3LYP/cc-pVDZ level. A second fundamental, ν{sub 4}(σ{sub u}), can only be tentatively identified at 2021.0 cm{sup −1}, because its isotopic shifts are overlapped by absorptions from other species.

Authors:
; ;  [1]
  1. Department of Physics and Astronomy, Texas Christian University, Fort Worth, Texas 76129 (United States)
Publication Date:
OSTI Identifier:
22419943
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION; CARBON 13; DENSITY FUNCTIONAL METHOD; FOURIER TRANSFORMATION; INFRARED SPECTRA; ISOMERS; NEODYMIUM LASERS; SILICON 30; SILICON CARBIDES; SOLIDS; SPECTRAL SHIFT

Citation Formats

Lê, T. H., Rittby, C. M. L., and Graham, W. R. M., E-mail: w.graham@tcu.edu. Fourier transform infrared identification of the ν{sub 5}(σ{sub u}) fundamental of SiC{sub 5}Si. United States: N. p., 2014. Web. doi:10.1063/1.4890876.
Lê, T. H., Rittby, C. M. L., & Graham, W. R. M., E-mail: w.graham@tcu.edu. Fourier transform infrared identification of the ν{sub 5}(σ{sub u}) fundamental of SiC{sub 5}Si. United States. doi:10.1063/1.4890876.
Lê, T. H., Rittby, C. M. L., and Graham, W. R. M., E-mail: w.graham@tcu.edu. Mon . "Fourier transform infrared identification of the ν{sub 5}(σ{sub u}) fundamental of SiC{sub 5}Si". United States. doi:10.1063/1.4890876.
@article{osti_22419943,
title = {Fourier transform infrared identification of the ν{sub 5}(σ{sub u}) fundamental of SiC{sub 5}Si},
author = {Lê, T. H. and Rittby, C. M. L. and Graham, W. R. M., E-mail: w.graham@tcu.edu},
abstractNote = {The Fourier transform infrared spectrum of SiC{sub 5}Si was observed by trapping the vapor from the Nd:YAG laser ablation of sintered Si/C rods in solid Ar at ∼20 K. Measurements of {sup 13}C and {sup 29,30}Si isotopic shifts have enabled the identification of the ν{sub 5}(σ{sub u}) vibrational fundamental of the linear isomer of SiC{sub 5}Si at 1590.8 ± 0.2 cm{sup −1}. The results are in excellent agreement with the predictions of density functional theory calculations at the B3LYP/cc-pVDZ level. A second fundamental, ν{sub 4}(σ{sub u}), can only be tentatively identified at 2021.0 cm{sup −1}, because its isotopic shifts are overlapped by absorptions from other species.},
doi = {10.1063/1.4890876},
journal = {Journal of Chemical Physics},
number = 4,
volume = 141,
place = {United States},
year = {Mon Jul 28 00:00:00 EDT 2014},
month = {Mon Jul 28 00:00:00 EDT 2014}
}