Investigation of the stereoelectronic properties in 1,2-difluorocyclopropane and 1,2-difluorocyclohexane: Evaluation of the gauche effect

dc.creatorFreitas, MP
dc.creatorRittner, R
dc.date2007
dc.dateAPR 1
dc.date2014-11-17T03:01:34Z
dc.date2015-11-26T16:36:21Z
dc.date2014-11-17T03:01:34Z
dc.date2015-11-26T16:36:21Z
dc.date.accessioned2018-03-28T23:19:04Z
dc.date.available2018-03-28T23:19:04Z
dc.identifierJournal Of Molecular Structure-theochem. Elsevier Science Bv, v. 807, n. 41699, n. 159, n. 162, 2007.
dc.identifier0166-1280
dc.identifierWOS:000245698600021
dc.identifier10.1016/j.theochem.2006.12.021
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/60643
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/60643
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/60643
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1271785
dc.descriptionThe gauche effect, the phenomenon of approximating (dihedral angle about 60 degrees) electronegative atoms or groups in a 1,2-disubstituted ethane fragment, is theoretically evaluated in this report, taking 1,2-difluorocyclopropane and 1,2-difluorocyclohexane (cis and trans) as models. NBO analysis was used in order to give insight into the nature of the gauche effect in the studied compounds, i.e. its origin has been evaluated as due to hyperconjugation or to bent bonds. (c) 2007 Elsevier B.V. All rights reserved.
dc.description807
dc.description41699
dc.description159
dc.description162
dc.languageen
dc.publisherElsevier Science Bv
dc.publisherAmsterdam
dc.publisherHolanda
dc.relationJournal Of Molecular Structure-theochem
dc.relationTheochem-J. Mol. Struct.
dc.rightsfechado
dc.rightshttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dc.sourceWeb of Science
dc.subjectgauche effect
dc.subjecttheoretical calculations
dc.subjectNBO analysis
dc.subjectAttractive Nonbonded Interactions
dc.subjectSteric Repulsion
dc.subjectBent Bonds
dc.subjectHyperconjugation
dc.subjectOrigin
dc.subjectEthane
dc.titleInvestigation of the stereoelectronic properties in 1,2-difluorocyclopropane and 1,2-difluorocyclohexane: Evaluation of the gauche effect
dc.typeArtículos de revistas


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