The first nonclassical distonic ion

dc.creatorGozzo, FC
dc.creatorMoraes, LAB
dc.creatorEberlin, MN
dc.creatorLaali, KK
dc.date2000
dc.dateAUG 16
dc.date2014-12-02T16:28:54Z
dc.date2015-11-26T16:43:03Z
dc.date2014-12-02T16:28:54Z
dc.date2015-11-26T16:43:03Z
dc.date.accessioned2018-03-28T23:27:55Z
dc.date.available2018-03-28T23:27:55Z
dc.identifierJournal Of The American Chemical Society. Amer Chemical Soc, v. 122, n. 32, n. 7776, n. 7780, 2000.
dc.identifier0002-7863
dc.identifierWOS:000088946100018
dc.identifier10.1021/ja993749m
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/73655
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/73655
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/73655
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1273472
dc.descriptionThe gaseous and ionized prototype carbonyl ylide, the distonic ion +CH2-O-CH2., is found to transfer ionized methylene to 1-adamantylphosphaacetylene (1-Ad-C equivalent to P), a kinetically stabilized phosphaalkyne, thus forming the 1-adamantylphosphaacetylenium P-methylide ion, 1-Ad-C+=P-CH2., a novel phosphorus, and the first nonclassical distonic ion. The ion abstracts CH3S. from CH3SSCH3 and both B-r and C3H5. from allyl bromide, and this characteristic reactivity demonstrates its distonic character. MO calculations at the Becke3LYP/6-311G(d,p) and MCSCF [CAS(3,3)] levels confirm that 1-Ad-C+=P-CH2. bears spatially separated charge and odd spin sites. They also reveal for the ion a phosphaallylic radical structure that stabilizes the radical site, and a a-bridged structure with three-center two-electron bonds that stabilizes the charge site. This unique electronic structure characterizes 1-Ad-C+=P-CH2. as the first nonclassical distonic ion.
dc.description122
dc.description32
dc.description7776
dc.description7780
dc.languageen
dc.publisherAmer Chemical Soc
dc.publisherWashington
dc.publisherEUA
dc.relationJournal Of The American Chemical Society
dc.relationJ. Am. Chem. Soc.
dc.rightsfechado
dc.sourceWeb of Science
dc.subjectRadical Cations
dc.subjectGas-phase
dc.subjectMass-spectrometry
dc.subjectEthylene-oxide
dc.subjectCyclotron Resonance
dc.subjectMolecule Reactions
dc.subjectChemistry
dc.subjectCarbocations
dc.subjectOxirane
dc.titleThe first nonclassical distonic ion
dc.typeArtículos de revistas


Este ítem pertenece a la siguiente institución