Dipole Moment Derivative Signs, Polar Tensors, And Vibrational Intensities Of C2f6

dc.creatorFerreira M.M.C.
dc.creatorNeto B.B.
dc.creatorBruns R.E.
dc.date1989
dc.date2015-06-30T13:41:39Z
dc.date2015-11-26T14:37:26Z
dc.date2015-06-30T13:41:39Z
dc.date2015-11-26T14:37:26Z
dc.date.accessioned2018-03-28T21:41:52Z
dc.date.available2018-03-28T21:41:52Z
dc.identifier
dc.identifierJournal Of Physical Chemistry. , v. 93, n. 8, p. 2957 - 2959, 1989.
dc.identifier223654
dc.identifier
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-1842289007&partnerID=40&md5=c48ac7e78d57dbbcc4e8644345bfc927
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/98334
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/98334
dc.identifier2-s2.0-1842289007
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1249159
dc.descriptionThe atomic polar tensors of hexafluoroethane calculated from the experimental vibrational intensities measured previously are reported. Dipole moment derivative signs were determined using STO-3G and 4-31G molecular orbital wave functions. The fluorine polar tensor invariants, p̄, β, and χ, are found to be significantly smaller than those for fluorine of the substituted fluoromethanes. Transference of fluorine polar tensor elements from CH3F and CF4 to C2F6 results in reasonably accurate estimates for the C2F6 vibrational intensities with the exception of the one for the v7 E symmetry CF stretching mode, which is calculated to be much too large. © 1989 American Chemical Society.
dc.description93
dc.description8
dc.description2957
dc.description2959
dc.languageen
dc.publisher
dc.relationJournal of Physical Chemistry
dc.rightsfechado
dc.sourceScopus
dc.titleDipole Moment Derivative Signs, Polar Tensors, And Vibrational Intensities Of C2f6
dc.typeArtículos de revistas


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