Loading...
Fourier transform infrared spectroscopic and density functional theoretical studies of silicon-carbon molecules
Le, Tina Huong
Le, Tina Huong
Citations
Altmetric:
Soloist
Composer
Publisher
[Fort Worth, Tex.] : Texas Christian University,
Date
2014
Additional date(s)
Abstract
Astronomers, experimentalists and theorists have produced a great deal of research on SinCm species, because of their potential applications to astrophysics and the study of Group IV molecules. The present work is part of this on-going research and we report here, the synthesis and observation of vibrational fundamentals of silicon-carbon species, SiC5 and SiC5Si. The infrared spectrum of SiC5 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 ??C and ??,??Si isotopic shifts have enabled the identification of the v4(s) vibrational fundamental of the linear isomer of SiC5Si at 936.9 ? 0.2 cm??.The observed isotopic shifts are in excellent agreement with the predictions of DFT (density functional theory) calculations at the B3LYP/cc-pVDZ level. SiC5Si was produced using argon matrix trapping and Nd:YAG laser ablation of a sintered 30% Si/ 70%??C rod in solid Ar at ~20 K. The ??C and ??,??Si isotopic shifts were observed, and upon comparison with the calculations of DFT-B3LYP/cc-pVDZ, are in excellent agreement. This leads to a confident identification of the v5(s?) fundamental of linear SiC5Si at 1590.8 ? 0.2 cm??. A second fundamental, v4(s?), can only be tentatively identified at 2021.0 cm?? because near-lying absorptions belonging to other species overlap its isotopic shift pattern.
Contents
Subject
Subject(s)
Fourier transform spectroscopy.
Silicon carbide.
Density functionals.
Silicon carbide.
Density functionals.
Research Projects
Organizational Units
Journal Issue
Genre
Dissertation
Description
Format
Department
Physics and Astronomy