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dc.contributor.advisorGraham, W. R. M.
dc.contributor.authorCardenas, Rafaelen_US
dc.date.accessioned2014-07-22T18:46:55Z
dc.date.available2014-07-22T18:46:55Z
dc.date.created2007en_US
dc.date.issued2007en_US
dc.identifieretd-12062007-092327en_US
dc.identifiercat-001347369en_US
dc.identifier.urihttps://repository.tcu.edu:443/handle/116099117/3971
dc.description.abstractCarbon clusters are formed in the laboratory by trapping the products from the Nd-YAG laser evaporation of graphite in argon matrices held at ~10 K. Linear carbon chains have been the subject of extensive theoretical and experimental studies over many years and are important in diverse areas as astrophysics, studies of the fullerenes, and the chemistry of fuel combustion. FTIR measurements of vibrational fundamentals and carbon-13 isotopic shifts, coupled with the predictions of theoretical density functional theory calculations and a recently developed theoretical tool, the deperturbation method have been successfully employed to identify long linear C[subscript]n (n [greater than or equal to] 7) carbon chains. The development of a process to produce carbon rods highly enriched with 13C enabled the observation of well-resolved isotopic spectra of linear 13C[subscript]n carbon clusters (n =3-18).^The identifications are facilitated by the measurement of both the isotopic pattern for single 12C-substituted (12C13C[subscript]n-1) isotopomers and the "mirror" isotopic pattern for single 13C-substituted (13C12C[subscript]n-1) isotopomers. As a result of this work it is now routinely possible to achieve experimental reproducibility of isotopic shift patterns, which enables comparison with theoretical predictions.The combination of experimental improvements and theoretical results, has led to the identification of 13C isotopic shifts for sixteen vibrational fundamentals belonging to eight different long chains, C[subscript]n (n [greater than or equal to] 7) species.^The fundamentals identified include the v4(su) = 2128.1 cm-1 mode of C7; the v5(su) = 2078.2, v6(su) = 1998.2, and v7(su) = 1601.0 cm-1 modes of C9; the v6(su) 2074.2 and v7(su) = 1915.7cm-1 modes of C10; the v7(su) = 1946.1, v8(su) = 1856.7, and v9(su) = 1360.0 cm-1 modes of C11; the v5(su) = 2071.4 and v6(su) = 1710.5 cm-1 modes of linear C8; the v7(su) = 2140.6, v8(su) = 997.3 and v9(su) = 1817.9 cm-1 of linear C12; the v10(su) = 1999.3 cm-1; mode of linear C15; and the v12(su) = 2001.0 cm-1 mode of linear C18. In addition, isotopomer absorptions have been identified for the following modes that are normally IR inactive until isotopic substitution when they become observable: v1(sg) mode of C7, the v1(sg) mode of C9,v1(sg) and v2(sg) mode of C10, v2(sg) and v1(sg) mode of C11, v3(sg) v3(sg) modes C15 and the v3(sg) mode of C18.
dc.format.mediumFormat: Onlineen_US
dc.language.isoengen_US
dc.publisherFort Worth, Tex. : Texas Christian University,en_US
dc.relation.ispartofTexas Christian University dissertationen_US
dc.relation.ispartofUMI thesis.en_US
dc.relation.requiresMode of access: World Wide Web.en_US
dc.relation.requiresSystem requirements: Adobe Acrobat reader.en_US
dc.subject.lcshCarbon Spectra.en_US
dc.subject.lcshFourier transform infrared spectroscopy.en_US
dc.titleInfrared studies on the spectra and structures of novel carbon moleculesen_US
dc.typeTexten_US
etd.degree.departmentDepartment of Physics and Astronomy
etd.degree.levelDoctoral
local.collegeCollege of Science and Engineering
local.departmentPhysics and Astronomy
local.academicunitDepartment of Physics and Astronomy
dc.type.genreDissertation
local.subjectareaPhysics and Astronomy
etd.degree.nameDoctor of Philosophy
etd.degree.grantorTexas Christian University


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