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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
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TitleOne-dimensional ferromagnetically coupled bimetallic chains constructed with trans-[Ru(acac)2(CN)2]-: Syntheses, structures, magnetic properties, and density functional theoretical study
 
AuthorsGuo, JF4
Wang, XT3
Wang, BW3
Xu, GC3
Gao, S3
Szeto, L1
Wong, WT1
Wong, WY2
Lau, TC4
 
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
 
CitationChemistry - A European Journal, 2010, v. 16 n. 11, p. 3524-3535 [How to Cite?]
DOI: http://dx.doi.org/10.1002/chem.200902047
 
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,.
 
ISSN0947-6539
2013 Impact Factor: 5.696
 
DOIhttp://dx.doi.org/10.1002/chem.200902047
 
ISI Accession Number IDWOS:000276058100029
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.

 
ReferencesReferences in Scopus
 
DC FieldValue
dc.contributor.authorGuo, JF
 
dc.contributor.authorWang, XT
 
dc.contributor.authorWang, BW
 
dc.contributor.authorXu, GC
 
dc.contributor.authorGao, S
 
dc.contributor.authorSzeto, L
 
dc.contributor.authorWong, WT
 
dc.contributor.authorWong, WY
 
dc.contributor.authorLau, TC
 
dc.date.accessioned2010-09-06T06:10:30Z
 
dc.date.available2010-09-06T06:10:30Z
 
dc.date.issued2010
 
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,.
 
dc.description.natureLink_to_subscribed_fulltext
 
dc.identifier.citationChemistry - A European Journal, 2010, v. 16 n. 11, p. 3524-3535 [How to Cite?]
DOI: http://dx.doi.org/10.1002/chem.200902047
 
dc.identifier.doihttp://dx.doi.org/10.1002/chem.200902047
 
dc.identifier.epage3535
 
dc.identifier.hkuros170188
 
dc.identifier.isiWOS:000276058100029
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.

 
dc.identifier.issn0947-6539
2013 Impact Factor: 5.696
 
dc.identifier.issue11
 
dc.identifier.openurl
 
dc.identifier.pmid20140917
 
dc.identifier.scopuseid_2-s2.0-77949300995
 
dc.identifier.spage3524
 
dc.identifier.urihttp://hdl.handle.net/10722/69094
 
dc.identifier.volume16
 
dc.languageeng
 
dc.publisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www.wiley-vch.de/home/chemistry
 
dc.publisher.placeGermany
 
dc.relation.ispartofChemistry - A European Journal
 
dc.relation.referencesReferences in Scopus
 
dc.subjectCoordination modes
 
dc.subjectDensity functional calculations
 
dc.subjectMagnetic properties
 
dc.subjectMoleculebased magnets
 
dc.subjectRuthenium
 
dc.subjectSinglechain magnets
 
dc.titleOne-dimensional ferromagnetically coupled bimetallic chains constructed with trans-[Ru(acac)2(CN)2]-: Syntheses, structures, magnetic properties, and density functional theoretical study
 
dc.typeArticle
 
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<contributor.author>Xu, GC</contributor.author>
<contributor.author>Gao, S</contributor.author>
<contributor.author>Szeto, L</contributor.author>
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<description.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&apos;bis(salicylidene)-o-ethyldiamine dianion) and [{Mn(5,5&apos;-Me2salen)}2{Ru(acac)2(CN)2}][Ru(acac) 2(CN)2]. 2CH3OH (4) (5.5&apos;-Me 2salen=N,N&apos;bis(5,5&apos;-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&apos; =-1.37 cm-1, g=2.20 for 1 and J= + 0.85 cm-1, zJ&apos; = -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&apos; = -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 &#966;=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. &#169; 2010 Wiley-VCH. Verlag GmbH &amp; Co. KGaA,.</description.abstract>
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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