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Cation-pi versus Anion-pi interactions: a complete pi-orbital analysis

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dc.contributor.author Garau Rosselló, Carolina
dc.contributor.author Frontera Beccaria, Antonio
dc.contributor.author Quiñonero Santiago, David
dc.contributor.author Ballester Balaguer, Pablo José
dc.contributor.author Costa Torres, Antonio
dc.contributor.author Deyà Serra, Pere Maria
dc.date.accessioned 2018-09-25T09:56:53Z
dc.identifier.uri http://hdl.handle.net/11201/147645
dc.description.abstract [eng] A complete orbital analysis of two isoelectronic complexes of trifluorobenzene (TFB), TFB F and TFB Na+, as models for anion-p and cation-p interactions, respectively, has been performed at the MP2/6-31++G** level of theory. There are important orbital differences between both interactions, which are discussed in detail herein.
dc.format application/pdf
dc.relation.isformatof Versió postprint del document publicat a:
dc.relation.ispartof Chemical Physics Letters, 2004, vol. 399, p. 220-225
dc.subject.classification 54 - Química
dc.subject.other 54 - Chemistry. Crystallography. Mineralogy
dc.title Cation-pi versus Anion-pi interactions: a complete pi-orbital analysis
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/acceptedVersion
dc.date.updated 2018-09-25T09:56:53Z
dc.date.embargoEndDate info:eu-repo/date/embargoEnd/2075-01-01
dc.embargo 2075-01-01
dc.rights.accessRights info:eu-repo/semantics/embargoedAccess


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