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Article: One-dimensional ferromagnetically coupled bimetallic chains constructed with trans-[Ru(acac)2(CN)2]-: Syntheses, structures, magnetic properties, and density functional theoretical study

TitleOne-dimensional ferromagnetically coupled bimetallic chains constructed with trans-[Ru(acac)2(CN)2]-: Syntheses, structures, magnetic properties, and density functional theoretical study
Authors
KeywordsCoordination modes
Density functional calculations
Magnetic properties
Moleculebased magnets
Ruthenium
Singlechain magnets
Issue Date2010
PublisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www.wiley-vch.de/home/chemistry
Citation
Chemistry - A European Journal, 2010, v. 16 n. 11, p. 3524-3535 How to Cite?
Abstract
Four cyano-bridged 1D bimetallic polymers have been prepared by using the paramagnetic building block trans-[Ru(acac)2(CN)2](Hacac= acetylacetone): {[{Ni(tren)}{Ru(acac)2(CN)2}][ClO 4].CH3OH}n (1) (tren = tris(2-aminoethyl)amine) , {[{Ni(cyclen)}{Ru(acac)2(CN)2)][ClO4]. CH3OH)n (2) (cyclen = 1,4,7,10-tetraazacyclododecane), {[{Fe(salen)}{Ru(acac)2(CN)2}]}n., (3) (salen2- = N,N'bis(salicylidene)-o-ethyldiamine dianion) and [{Mn(5,5'-Me2salen)}2{Ru(acac)2(CN)2}][Ru(acac) 2(CN)2]. 2CH3OH (4) (5.5'-Me 2salen=N,N'bis(5,5'-dimethylsalicylidene)-o-ethylenediimine). Compounds 1 and 2 are 1D, zigzagged NiRu chains that exhibit ferromagnetic coupling between NiII and RuIII ions through cyano bridges with J= + 1.92 cnr-1, zJ' =-1.37 cm-1, g=2.20 for 1 and J= + 0.85 cm-1, zJ' = -0.16 cm-1, g=2.24 for 2. Compound 3 has a 1D linear chain structure that exhibits intrachain ferromagnetic coupling (J=.+ 0.62 cm-1, zJ' = -0.09 cm-1, g=2.08), but antiferromagnetic coupling occurs between FeRu chains, leading to metamagnetic behavior with TN = 2.6 K. In compound 4, two MnIII ions are coordinated to trans-[Ru(acac)2(CN)2]- to form trinuclear Mn2Ru units, which are linked together by Jt-Jt stacking and weak Mn...O* interactions to form a 1D chain. Compound 4 shows slow magnetic relaxation below 3.0K with φ=0.25, characteristic of superparamagnetic behavior. The MnIII...RuIII coupling constant (through cyano bridges) and the MnIII...MnIII coupling constant (between the trimers) are +0.87 and +0.24 cm-1, respectively. Compound 4 is a novel single-chain magnet built from Mn 2Ru trimers through noncovalent interactions. Density functional theory (DFT) combined with the broken symmetry state method was used to calculate the molecular magnetic orbitais and the magnetic exchange interactions between RuIII and M (M = NiII, FeIII, and Mn III) ions. To explain the somewhat unexpected ferromagnetic coupling between low-spin RuIII and high-spin FeIII and Mn III ions in compounds 3 and 4, respectively, it is proposed that apart from the relative symmetries, the relative energies of the magnetic orbitais may also be important in determining the overall magnetic coupling in these bimetallic assemblies. © 2010 Wiley-VCH. Verlag GmbH & Co. KGaA,.
Persistent Identifierhttp://hdl.handle.net/10722/69094
ISSN
2013 Impact Factor: 5.696
ISI Accession Number ID
Funding AgencyGrant Number
National Natural Science Foundation of China20831160505
National Basic Research Program of China2009CB929403
Research Grants Council of Hong Kong Joint Research SchemeN CityU 107/08
City University of Hong Kong7002095
Funding Information:

The work described in this paper was supported by grants from the National Natural Science Foundation of China (20831160505), the National Basic Research Program of China (2009CB929403), the Research Grants Council of Hong Kong Joint Research Scheme (N CityU 107/08), and the City University of Hong Kong (SRC, 7002095). We thank Prof. Z. D. Chen and S. D. Jiang for helpful discussions.

References

 

Author Affiliations
  1. The University of Hong Kong
  2. Hong Kong Baptist University
  3. College of Chemistry and Molecular Engineering, Peking University
  4. City University of Hong Kong
DC FieldValueLanguage
dc.contributor.authorGuo, JFen_HK
dc.contributor.authorWang, XTen_HK
dc.contributor.authorWang, BWen_HK
dc.contributor.authorXu, GCen_HK
dc.contributor.authorGao, Sen_HK
dc.contributor.authorSzeto, Len_HK
dc.contributor.authorWong, WTen_HK
dc.contributor.authorWong, WYen_HK
dc.contributor.authorLau, TCen_HK
dc.date.accessioned2010-09-06T06:10:30Z-
dc.date.available2010-09-06T06:10:30Z-
dc.date.issued2010en_HK
dc.identifier.citationChemistry - A European Journal, 2010, v. 16 n. 11, p. 3524-3535en_HK
dc.identifier.issn0947-6539en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69094-
dc.description.abstractFour cyano-bridged 1D bimetallic polymers have been prepared by using the paramagnetic building block trans-[Ru(acac)2(CN)2](Hacac= acetylacetone): {[{Ni(tren)}{Ru(acac)2(CN)2}][ClO 4].CH3OH}n (1) (tren = tris(2-aminoethyl)amine) , {[{Ni(cyclen)}{Ru(acac)2(CN)2)][ClO4]. CH3OH)n (2) (cyclen = 1,4,7,10-tetraazacyclododecane), {[{Fe(salen)}{Ru(acac)2(CN)2}]}n., (3) (salen2- = N,N'bis(salicylidene)-o-ethyldiamine dianion) and [{Mn(5,5'-Me2salen)}2{Ru(acac)2(CN)2}][Ru(acac) 2(CN)2]. 2CH3OH (4) (5.5'-Me 2salen=N,N'bis(5,5'-dimethylsalicylidene)-o-ethylenediimine). Compounds 1 and 2 are 1D, zigzagged NiRu chains that exhibit ferromagnetic coupling between NiII and RuIII ions through cyano bridges with J= + 1.92 cnr-1, zJ' =-1.37 cm-1, g=2.20 for 1 and J= + 0.85 cm-1, zJ' = -0.16 cm-1, g=2.24 for 2. Compound 3 has a 1D linear chain structure that exhibits intrachain ferromagnetic coupling (J=.+ 0.62 cm-1, zJ' = -0.09 cm-1, g=2.08), but antiferromagnetic coupling occurs between FeRu chains, leading to metamagnetic behavior with TN = 2.6 K. In compound 4, two MnIII ions are coordinated to trans-[Ru(acac)2(CN)2]- to form trinuclear Mn2Ru units, which are linked together by Jt-Jt stacking and weak Mn...O* interactions to form a 1D chain. Compound 4 shows slow magnetic relaxation below 3.0K with φ=0.25, characteristic of superparamagnetic behavior. The MnIII...RuIII coupling constant (through cyano bridges) and the MnIII...MnIII coupling constant (between the trimers) are +0.87 and +0.24 cm-1, respectively. Compound 4 is a novel single-chain magnet built from Mn 2Ru trimers through noncovalent interactions. Density functional theory (DFT) combined with the broken symmetry state method was used to calculate the molecular magnetic orbitais and the magnetic exchange interactions between RuIII and M (M = NiII, FeIII, and Mn III) ions. To explain the somewhat unexpected ferromagnetic coupling between low-spin RuIII and high-spin FeIII and Mn III ions in compounds 3 and 4, respectively, it is proposed that apart from the relative symmetries, the relative energies of the magnetic orbitais may also be important in determining the overall magnetic coupling in these bimetallic assemblies. © 2010 Wiley-VCH. Verlag GmbH & Co. KGaA,.en_HK
dc.languageengen_HK
dc.publisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www.wiley-vch.de/home/chemistryen_HK
dc.relation.ispartofChemistry - A European Journalen_HK
dc.subjectCoordination modesen_HK
dc.subjectDensity functional calculationsen_HK
dc.subjectMagnetic propertiesen_HK
dc.subjectMoleculebased magnetsen_HK
dc.subjectRutheniumen_HK
dc.subjectSinglechain magnetsen_HK
dc.titleOne-dimensional ferromagnetically coupled bimetallic chains constructed with trans-[Ru(acac)2(CN)2]-: Syntheses, structures, magnetic properties, and density functional theoretical studyen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0947-6539&volume=16&issue=11&spage=3524&epage=3535&date=2010&atitle=One-dimensional+ferromagnetically+coupled+bimetallic+chains+constructed+with+trans-[Ru(acac)2(CN)2]-:+syntheses,+structures,+magnetic+properties,+and+density+functional+theoretical+studyen_HK
dc.identifier.emailWong, WT: wtwong@hku.hken_HK
dc.identifier.authorityWong, WT=rp00811en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1002/chem.200902047en_HK
dc.identifier.pmid20140917-
dc.identifier.scopuseid_2-s2.0-77949300995en_HK
dc.identifier.hkuros170188en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-77949300995&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume16en_HK
dc.identifier.issue11en_HK
dc.identifier.spage3524en_HK
dc.identifier.epage3535en_HK
dc.identifier.isiWOS:000276058100029-
dc.publisher.placeGermanyen_HK
dc.identifier.scopusauthoridGuo, JF=8900778400en_HK
dc.identifier.scopusauthoridWang, XT=23096076800en_HK
dc.identifier.scopusauthoridWang, BW=9041763300en_HK
dc.identifier.scopusauthoridXu, GC=8538959000en_HK
dc.identifier.scopusauthoridGao, S=7403257903en_HK
dc.identifier.scopusauthoridSzeto, L=8398782100en_HK
dc.identifier.scopusauthoridWong, WT=7403973084en_HK
dc.identifier.scopusauthoridWong, WY=7403972153en_HK
dc.identifier.scopusauthoridLau, TC=7102222310en_HK

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