dc.contributor.advisor | Graham, W. R. M. | |
dc.contributor.advisor | Rittby, C. Magnus L. | |
dc.contributor.author | Le, Tina Huong | en_US |
dc.date.accessioned | 2014-07-23T14:50:38Z | |
dc.date.available | 2014-07-23T14:50:38Z | |
dc.date.created | 2014 | en_US |
dc.date.issued | 2014 | en_US |
dc.identifier | etd-05132014-111659 | en_US |
dc.identifier | umi-10471 | en_US |
dc.identifier | cat-002153405 | en_US |
dc.identifier.uri | https://repository.tcu.edu/handle/116099117/4538 | |
dc.description.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. | |
dc.format.medium | Format: Online | en_US |
dc.language.iso | eng | en_US |
dc.publisher | [Fort Worth, Tex.] : Texas Christian University, | en_US |
dc.relation.ispartof | Texas Christian University dissertation | en_US |
dc.relation.ispartof | UMI thesis. | en_US |
dc.relation.ispartof | Texas Christian University dissertation. | en_US |
dc.relation.requires | Mode of access: World Wide Web. | en_US |
dc.relation.requires | System requirements: Adobe Acrobat reader. | en_US |
dc.subject.lcsh | Fourier transform spectroscopy. | en_US |
dc.subject.lcsh | Silicon carbide. | en_US |
dc.subject.lcsh | Density functionals. | en_US |
dc.title | Fourier transform infrared spectroscopic and density functional theoretical studies of silicon-carbon molecules | en_US |
dc.type | Text | en_US |
etd.degree.department | Department of Physics and Astronomy | |
etd.degree.level | Doctoral | |
local.college | College of Science and Engineering | |
local.department | Physics and Astronomy | |
local.academicunit | Department of Physics and Astronomy | |
dc.type.genre | Dissertation | |
local.subjectarea | Physics and Astronomy | |
etd.degree.name | Doctor of Philosophy | |
etd.degree.grantor | Texas Christian University | |