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An improved electron diffraction--microwave and molecular orbital study of the structure of SF5Cl
dc.contributor.authorBartell, Lawrence S.en_US
dc.contributor.authorDoun, S. K.en_US
dc.contributor.authorMarsden, C. J.en_US
dc.date.accessioned2006-04-07T18:02:27Z
dc.date.available2006-04-07T18:02:27Z
dc.date.issued1981-09en_US
dc.identifier.citationBartell, L. S., Doun, S., Marsden, C. J. (1981/09)."An improved electron diffraction--microwave and molecular orbital study of the structure of SF5Cl." Journal of Molecular Structure 75(2): 271-282. <http://hdl.handle.net/2027.42/24270>en_US
dc.identifier.urihttp://www.sciencedirect.com/science/article/B6TGS-44CY2FM-4Y/2/12c08c09270d7e0efa7484afda2bdd9den_US
dc.identifier.urihttps://hdl.handle.net/2027.42/24270
dc.description.abstractA new study of the structure of SF5Cl is reported. Previously-obtained electron diffraction data have been corrected for multiple scattering, and newly-reported microwave rotational constants have been combined in the analysis. Structural parameters, with estimated limits of error, were found to be rg (S-Cl) 2.055(1) A, rg (S-F)mean 1.570(1) A, rg (S-Fax) - rg(S-Feq) 0.001(8) A, rg(S-Feq) 1.571(3) A, rg (S-Fax) 1.571(8) A, [angle][alpha] Cl-S-Feq 90.4(0.1)[deg]. The new data are more self-consistent than was previously the case. Ab initio molecular calculations using three different basis sets are reported and discussed.en_US
dc.format.extent1074706 bytes
dc.format.extent3118 bytes
dc.format.mimetypeapplication/pdf
dc.format.mimetypetext/plain
dc.language.isoen_US
dc.publisherElsevieren_US
dc.titleAn improved electron diffraction--microwave and molecular orbital study of the structure of SF5Clen_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.hlbtoplevelScienceen_US
dc.subject.hlbtoplevelEngineeringen_US
dc.description.peerreviewedPeer Revieweden_US
dc.contributor.affiliationumChemistry Department, University of Michigan, Ann Arbor, MI 48109 U.S.A.en_US
dc.contributor.affiliationumChemistry Department, University of Michigan, Ann Arbor, MI 48109 U.S.A.en_US
dc.contributor.affiliationotherChemistry Department, University of Melbourne, Parkville, Victoria 3052 Australiaen_US
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/24270/1/0000535.pdfen_US
dc.identifier.doihttp://dx.doi.org/10.1016/0022-2860(81)85241-6en_US
dc.identifier.sourceJournal of Molecular Structureen_US
dc.owningcollnameInterdisciplinary and Peer-Reviewed


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