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Calculated molecular structures and electronic spectra of the geometric isomers of a model carotenoid molecule, 6,11-dimethylhexadecaheptaene
dc.contributor.authorTai, Julia C.en_US
dc.contributor.authorAllinger, Norman L.en_US
dc.date.accessioned2006-04-07T18:13:44Z
dc.date.available2006-04-07T18:13:44Z
dc.date.issued1981en_US
dc.identifier.citationTai, Julia C., Allinger,, Norman L. (1981)."Calculated molecular structures and electronic spectra of the geometric isomers of a model carotenoid molecule, 6,11-dimethylhexadecaheptaene." Tetrahedron 37(16): 2755-2761. <http://hdl.handle.net/2027.42/24585>en_US
dc.identifier.urihttp://www.sciencedirect.com/science/article/B6THR-42HPWV5-CN/2/f0cf96a47c79397591c4a32d6d2db519en_US
dc.identifier.urihttps://hdl.handle.net/2027.42/24585
dc.description.abstractThe molecular structures and the electronic spectra of the geometric isomers of a model carotenoid polyene, 6,11-dimethylhexadecaheptaene, were calculated. It was concluded that solvent effects and conformational isomerization must be taken into account in order to satisfactorily explain the observed spectra. Molecular structures were calculated using molecular mechanics (MM2), and electronic spectra using the VESCF-MO-CI method including all singly-excited configurations. A method based on the calculated and observed spectra of simple linear polyenes was devised to estimate the solvent effects.en_US
dc.format.extent599561 bytes
dc.format.extent3118 bytes
dc.format.mimetypeapplication/pdf
dc.format.mimetypetext/plain
dc.language.isoen_US
dc.publisherElsevieren_US
dc.titleCalculated molecular structures and electronic spectra of the geometric isomers of a model carotenoid molecule, 6,11-dimethylhexadecaheptaeneen_US
dc.typeArticleen_US
dc.rights.robotsIndexNoFollowen_US
dc.subject.hlbsecondlevelMaterials Science and Engineeringen_US
dc.subject.hlbsecondlevelChemistryen_US
dc.subject.hlbsecondlevelChemical Engineeringen_US
dc.subject.hlbsecondlevelBiological Chemistryen_US
dc.subject.hlbtoplevelEngineeringen_US
dc.subject.hlbtoplevelScienceen_US
dc.subject.hlbtoplevelHealth Sciencesen_US
dc.description.peerreviewedPeer Revieweden_US
dc.contributor.affiliationumDepartment of Chemistry, University of Michigan-Dearborn, Dearborn, MI 48128 U.S.Aen_US
dc.contributor.affiliationotherUniversity of Georgia, Athens, GA 30602, U.S.A.en_US
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/24585/1/0000868.pdfen_US
dc.identifier.doihttp://dx.doi.org/10.1016/S0040-4020(01)92342-7en_US
dc.identifier.sourceTetrahedronen_US
dc.owningcollnameInterdisciplinary and Peer-Reviewed


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