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dc.creatorSeifert, Nathan A.en_US
dc.creatorPerez, Cristobalen_US
dc.creatorZaleski, Daniel P.en_US
dc.creatorNeill, Justin L.en_US
dc.creatorPate, Brooks H.en_US
dc.creatorLesarri, Albertoen_US
dc.creatorVallejo, Montserraten_US
dc.creatorCocinero, Emilio J.en_US
dc.creatorCastano, Fernandoen_US
dc.date.accessioned2013-07-16T21:29:10Z
dc.date.available2013-07-16T21:29:10Z
dc.date.issued2013en_US
dc.identifier2013-MH-08en_US
dc.identifier.urihttp://hdl.handle.net/1811/55074
dc.descriptionAuthor Institution: Department of Chemistry, University of Virginia, McCormick Rd.; Charlottesville, VA 22904-4319; Departamento de Quimica Fisica y Quimica Inorganica, Facultad de Ciencias, Universidad de Valladolid, E-47011 Valladolid, Spain; Departamento de Quimica Fisica, Facultad de Ciencia y Tecnologia, Universidad del Pais Vasco (UPV/EHU), Campus de Leioa, Ap. 644, E-48080 Bilbao, Spainen_US
dc.description.abstractTwo stereoisomers of sevoflurane dimer have been detected using chirped pulse FTMW spectroscopy from 2-8 GHz. The identified complexes are distinguished by their differing helicities, and together both isomers form a diastereomeric pair, one being homochiral (RR/SS) and the other heterochiral (RS/SR). For both isomers, all 8 $^{13}$C isotopologues have been assigned, and two $^{18}$O isotopologues have also been detected for the homochiral isomer, for a total of 18 isotopologues. MP2/6-311++g(d,p) calculations predict the heterochiral isomer as 1.2 kJ mol$^{-1}$ above the homochiral species, which is consistent with the observed relative intensities between the two species. A summary of these microwave results, including a comparison between the Kraitchman and ab initio structures, will be presented.en_US
dc.language.isoenen_US
dc.publisherOhio State Universityen_US
dc.titleSTRUCTURE DETERMINATION OF TWO STEREOISOMERS OF SEVOFLURANE DIMER BY CHIRPED PULSE FTMW SPECTROSCOPYen_US
dc.typeArticleen_US
dc.typeImageen_US
dc.typePresentationen_US


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