An improved bond-order/bond-length relation for the calculation of inner sphere reorganization energies of organic electron transfer reactions

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dc.contributor.authorGrampp, G.
dc.contributor.buuauthorCebe, Mustafa
dc.contributor.buuauthorCebe, Emine
dc.contributor.departmentUludağ Üniversitesi/Fen Edebiyat Fakültesi/Fizik Bölümü.tr_TR
dc.contributor.departmentUludağ Üniversitesi/Fen Edebiyat Fakültesi/Kimya Bölümü.tr_TR
dc.date.accessioned2021-06-25T09:35:30Z
dc.date.available2021-06-25T09:35:30Z
dc.date.issued1990
dc.description.abstractIt is shown that common bond-order/bond-length relations are not applicable to radical ions. A new relation for radical ions Q+!- is derived from experimental bond lengths. A Coulson type relation of the bond length qαϱ(Q+!-) between the atoms α and ϱ and the π-bond order Pxαϱ(Q+!-) is found to be: qαϱ(Q+-)/Å = 1.590-0.325. Pxαϱ(Q+!-). This relation permits to calculate the inner sphere reorganization energy λi, in the sense of Marcus’ theory for compounds where the crystallographic structure of the radical ion is not available.en_US
dc.identifier.citationGrampp, G. vd. (1990). ''An improved bond-order/bond-length relation for the calculation of inner sphere reorganization energies of organic electron transfer reactions''. Zeitschrift Fur Physikalische Chemie Neue Folge, 166, 93-101.tr_TR
dc.identifier.endpage101tr_TR
dc.identifier.issn0044-3336
dc.identifier.scopus2-s2.0-33748577296tr_TR
dc.identifier.startpage93tr_TR
dc.identifier.urihttps://doi.org/10.1524/zpch.1990.166.Part_1.093
dc.identifier.urihttps://www.degruyter.com/document/doi/10.1524/zpch.1990.166.Part_1.093/html
dc.identifier.urihttp://hdl.handle.net/11452/20845
dc.identifier.volume166tr_TR
dc.identifier.wosA1990CV77500009tr_TR
dc.indexed.pubmedPubmeden_US
dc.indexed.scopusScopusen_US
dc.indexed.wosSCIEen_US
dc.language.isoenen_US
dc.publisherR. Oldenbourg Verlagen_US
dc.relation.collaborationYurt dışıtr_TR
dc.relation.journalZeitschrift Fur Physikalische Chemie Neue Folgeen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergitr_TR
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBond-length relationsen_US
dc.subjectBond-orderen_US
dc.subjectElectron transfer reactionsen_US
dc.subjectInner sphere reorganization energyen_US
dc.subjectMarcus theoryen_US
dc.subjectChemistryen_US
dc.subject.wosChemistry, physicalen_US
dc.titleAn improved bond-order/bond-length relation for the calculation of inner sphere reorganization energies of organic electron transfer reactionsen_US
dc.typeArticle

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