Theoretical Study Of The Coordination Effect: The Cn Bond Stretch Force Constants Of Hcnbf3 And Hcnbcl3

dc.creatorHase Y.
dc.date1987
dc.date2015-06-30T13:40:59Z
dc.date2015-11-26T14:36:59Z
dc.date2015-06-30T13:40:59Z
dc.date2015-11-26T14:36:59Z
dc.date.accessioned2018-03-28T21:41:07Z
dc.date.available2018-03-28T21:41:07Z
dc.identifier
dc.identifierJournal Of Molecular Structure: Theochem. , v. 151, n. C, p. 223 - 226, 1987.
dc.identifier1661280
dc.identifier10.1016/0166-1280(87)85058-3
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-0043181097&partnerID=40&md5=fc39f40b3d0ebdd919cf371d4ed2ccf0
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/98220
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/98220
dc.identifier2-s2.0-0043181097
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1248960
dc.descriptionA theoretical investigation of HCNBF3 and HCNBCl3 was undertaken with the aim of understanding the coordination effect of nitriles as the ligand in the CN bond stretching fundamental vibrations. The evaluated CN bond potential parameters given by the MNDO method suggest that the quadratic and cubic force constants are responsible for the characteristic high wavenumber shift of the CN stretching fundamentals and the apparent increase in the harmonic CN stretching force constant derived from the normal coordinate calculations. © 1987.
dc.description151
dc.descriptionC
dc.description223
dc.description226
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dc.languageen
dc.publisher
dc.relationJournal of Molecular Structure: THEOCHEM
dc.rightsfechado
dc.sourceScopus
dc.titleTheoretical Study Of The Coordination Effect: The Cn Bond Stretch Force Constants Of Hcnbf3 And Hcnbcl3
dc.typeArtículos de revistas


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