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Article: Structure, magnetism and spin coupling mechanism of cyano-bridged Ln III-Fe III binuclear metal complexes

TitleStructure, magnetism and spin coupling mechanism of cyano-bridged Ln III-Fe III binuclear metal complexes
Authors
KeywordsCrystal Structure
Cyano-Bridged
Ln-Fe
Magnetism
Spin Coupling
Issue Date2002
PublisherSpringer New York LLC. The Journal's web site is located at http://springerlink.metapress.com/openurl.asp?genre=journal&issn=1040-7278
Citation
Journal Of Cluster Science, 2002, v. 13 n. 1, p. 103-117 How to Cite?
AbstractA series of binuclear metal complexes [Ln(L) 4(H 2O) 3Fe(CN) 6]·nH 2O (Ce(1), Pr(2), Nd(3), Sm(4), Eu(5), Gd(6), Tb(7), Dy(8), Er(9), L=2-pyrrolidinone) were prepared and the X-ray crystal structures of complexes 4, 6, and 8 were determined. All the compounds consist of an Ln-CN-Fe unit, in which an octahedral coordinated Fe III is bridged to an Ln III ion located in square antiprism environment by a cyano group. The magnetic properties of 3, 4, 5, 6, 7, 9 show an overall antiferromagnetic behavior. The fitting to the experimental magnetic susceptibilities of complex 6 gave g = 1.99, J = 0.735 cm -1, zJ′ = -0.080 cm -1 on the basis of a binuclear spin system (S Gd = 7/2, S Fe = 1/2), revealing a ferromagnetic intra-molecular Gd-Fe interaction and an antiferromagnetic inter-molecular interaction. Results on the quantum chemical density functional theory (DFT) calculation for 6 showed that the calculated magnetic coupling constant is 8.1 cm -1, supporting the occurrence of weak ferromagnetic intra-molecular interaction in 6. The spin density maps for 6 in the high spin ground state and broken symmetry state were obtained, and the spin-spin coupling mechanism is discussed.
Persistent Identifierhttp://hdl.handle.net/10722/167726
ISSN
2015 Impact Factor: 1.664
2015 SCImago Journal Rankings: 0.416
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorSun, XRen_US
dc.contributor.authorChen, ZDen_US
dc.contributor.authorYan, Fen_US
dc.contributor.authorGao, Sen_US
dc.contributor.authorCheung, KKen_US
dc.contributor.authorChe, CMen_US
dc.contributor.authorZhang, XXen_US
dc.date.accessioned2012-10-08T03:10:30Z-
dc.date.available2012-10-08T03:10:30Z-
dc.date.issued2002en_US
dc.identifier.citationJournal Of Cluster Science, 2002, v. 13 n. 1, p. 103-117en_US
dc.identifier.issn1040-7278en_US
dc.identifier.urihttp://hdl.handle.net/10722/167726-
dc.description.abstractA series of binuclear metal complexes [Ln(L) 4(H 2O) 3Fe(CN) 6]·nH 2O (Ce(1), Pr(2), Nd(3), Sm(4), Eu(5), Gd(6), Tb(7), Dy(8), Er(9), L=2-pyrrolidinone) were prepared and the X-ray crystal structures of complexes 4, 6, and 8 were determined. All the compounds consist of an Ln-CN-Fe unit, in which an octahedral coordinated Fe III is bridged to an Ln III ion located in square antiprism environment by a cyano group. The magnetic properties of 3, 4, 5, 6, 7, 9 show an overall antiferromagnetic behavior. The fitting to the experimental magnetic susceptibilities of complex 6 gave g = 1.99, J = 0.735 cm -1, zJ′ = -0.080 cm -1 on the basis of a binuclear spin system (S Gd = 7/2, S Fe = 1/2), revealing a ferromagnetic intra-molecular Gd-Fe interaction and an antiferromagnetic inter-molecular interaction. Results on the quantum chemical density functional theory (DFT) calculation for 6 showed that the calculated magnetic coupling constant is 8.1 cm -1, supporting the occurrence of weak ferromagnetic intra-molecular interaction in 6. The spin density maps for 6 in the high spin ground state and broken symmetry state were obtained, and the spin-spin coupling mechanism is discussed.en_US
dc.languageengen_US
dc.publisherSpringer New York LLC. The Journal's web site is located at http://springerlink.metapress.com/openurl.asp?genre=journal&issn=1040-7278en_US
dc.relation.ispartofJournal of Cluster Scienceen_US
dc.subjectCrystal Structureen_US
dc.subjectCyano-Bridgeden_US
dc.subjectLn-Feen_US
dc.subjectMagnetismen_US
dc.subjectSpin Couplingen_US
dc.titleStructure, magnetism and spin coupling mechanism of cyano-bridged Ln III-Fe III binuclear metal complexesen_US
dc.typeArticleen_US
dc.identifier.emailChe, CM:cmche@hku.hken_US
dc.identifier.authorityChe, CM=rp00670en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1023/A:1015143113847en_US
dc.identifier.scopuseid_2-s2.0-0036013237en_US
dc.identifier.hkuros76382-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0036013237&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume13en_US
dc.identifier.issue1en_US
dc.identifier.spage103en_US
dc.identifier.epage117en_US
dc.identifier.isiWOS:000175457400009-
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridSun, XR=7405624830en_US
dc.identifier.scopusauthoridChen, ZD=7409487962en_US
dc.identifier.scopusauthoridYan, F=55181096900en_US
dc.identifier.scopusauthoridGao, S=7403257903en_US
dc.identifier.scopusauthoridCheung, KK=7402406613en_US
dc.identifier.scopusauthoridChe, CM=7102442791en_US
dc.identifier.scopusauthoridZhang, XX=36044634000en_US

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