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Rotating Iron and Titanium Sandwich Complexes

dc.creatorVlahović, Filip
dc.creatorGruden-Pavlović, Maja
dc.creatorSwart, Marcel
dc.date.accessioned2019-05-20T14:26:36Z
dc.date.available2018-11-16
dc.date.issued2018
dc.identifier.issn0947-6539
dc.identifier.urihttps://cherry.chem.bg.ac.rs/handle/123456789/2983
dc.description.abstractThe origin for the rotational barrier of organometallic versus inorganic sandwich complexes has remained enigmatic for the past decades. Here, we investigate in detail what causes the substantial barrier for titanodecaphosphacene through spin-state consistent density functional theory. Orbital interactions are shown to be the determining factor.en
dc.publisherWiley-V C H Verlag Gmbh, Weinheim
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS//
dc.relationMINECO [CTQ2014-59212-P, CTQ2015-70851-ERC]
dc.relationCOST Action [CM1305, COST-STSM-CM1305-38408]
dc.relationGenCat (XRQTC network)
dc.relationMICINN
dc.relationEuropean Fund for Regional Development [UNGI10-4E-801]
dc.relationGenCat [2014SGR1202]
dc.rightsembargoedAccess
dc.sourceChemistry. A European Journal
dc.subjectDensity functional calculationsen
dc.subjectFerroceneen
dc.subjectSandwich compoundsen
dc.subjectSpin statesen
dc.subjectTitaniumen
dc.titleRotating Iron and Titanium Sandwich Complexesen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractВлаховић, Филип; Груден-Павловић, Маја; Сwарт, Марцел;
dc.citation.volume24
dc.citation.issue20
dc.citation.spage5070
dc.citation.epage5073
dc.identifier.wos000429703700013
dc.identifier.doi10.1002/chem.201704829
dc.citation.other24(20): 5070-5073
dc.citation.rankM21
dc.identifier.pmid29144564
dc.description.otherThis is the peer-reviewed version of the following article: Vlahovic, F.; Gruden, M.; Swart, M. Rotating Iron and Titanium Sandwich Complexes. Chemistry - A European Journal 2018, 24 (20), 5070–5073. [https://doi.org/10.1002/chem.201704829]
dc.description.otherSupplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3005]
dc.type.versionacceptedVersionen
dc.identifier.scopus2-s2.0-85037358588
dc.identifier.fulltexthttps://cherry.chem.bg.ac.rs/bitstream/id/7014/vlahovic2017.pdf


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