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dc.contributor.authorLe, Tina Huongen_US
dc.date.accessioned2014-07-23T14:50:38Z
dc.date.available2014-07-23T14:50:38Z
dc.date.created2014en_US
dc.date.issued2014en_US
dc.identifieretd-05132014-111659en_US
dc.identifierumi-10471en_US
dc.identifiercat-002153405en_US
dc.identifier.urihttps://repository.tcu.edu/handle/116099117/4538
dc.descriptionTitle from dissertation title page (viewed Jun. 12, 2014).en_US
dc.descriptionIncludes abstract.en_US
dc.descriptionThesis (Ph.D.)--Texas Christian University, 2014.en_US
dc.descriptionDepartment of Physics and Astronomy; advisors, W. R. M. Graham, C. M. L. Rittby.en_US
dc.descriptionIncludes bibliographical references.en_US
dc.descriptionText (electronic thesis) in PDF.en_US
dc.descriptionAstronomers, 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.en_US
dc.format.mediumFormat: Onlineen_US
dc.language.isoengen_US
dc.publisher[Fort Worth, Tex.] : Texas Christian University,en_US
dc.relation.ispartofTexas Christian University dissertationen_US
dc.relation.ispartofUMI thesis.en_US
dc.relation.ispartofTexas Christian University dissertation.en_US
dc.relation.requiresMode of access: World Wide Web.en_US
dc.relation.requiresSystem requirements: Adobe Acrobat reader.en_US
dc.subject.lcshFourier transform spectroscopy.en_US
dc.subject.lcshSilicon carbide.en_US
dc.subject.lcshDensity functionals.en_US
dc.titleFourier transform infrared spectroscopic and density functional theoretical studies of silicon-carbon molecules [electronic resource] /en_US
dc.typeTexten_US
etd.degree.departmentDepartment of Physics and Astronomy
etd.degree.levelDoctoral
local.academicunitDepartment of Physics and Astronomy
local.subjectareaPhysics and Astronomy


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