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Framework Solids Based on Copper(II) Halides (Cl/Br) and Methylene-Bridged Bis(1-hydroxybenzotriazole): Synthesis, Crystal Structures, Magneto-Structural Correlation, and Density Functional Theory (DFT) Studies.

hal.structure.identifierDepartment of Chemistry
dc.contributor.authorSASMAL, Ashok
hal.structure.identifierDepartment of Chemistry
dc.contributor.authorSHIT, Shyamapada
hal.structure.identifierDipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, [GIAF]
dc.contributor.authorRIZZOLI, Corrado
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorWANG, Hongfeng
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDESPLANCHES, Cédric
hal.structure.identifierDepartment of Chemistry
dc.contributor.authorMITRA, Samiran
dc.date.issued2012-10-01
dc.identifier.issn0020-1669
dc.description.abstractEnA methylene-bridged 1-hydroxybenzotriazole derived ligand L [L = 1, 3-bis(benzotriazol-1-yl)-1,3-dioxapropane] has been synthesized and characterized by spectroscopic and structural methods. Reaction of L with two different copper(II) halides [CuX(2); X = Br, Cl] in an identical condition yields two different compounds of similar compositions, {[Cu(μ-Br)(Br)(μ-L)](2)}(n)*2nH(2)O (1) and {[Cu(μ-Cl)(Cl)(μ-L)](2)}(n)*2nH(2)O (2), both being characterized by various physicochemical techniques. Single crystal X-ray studies reveal that they appear as 2D coordination polymers with similar bridging fashion of L. Low temperature magnetic susceptibility measurements reveal antiferromagnetic and ferromagnetic behaviors for 1 and 2 with magnetic coupling constants J = -15.2 and +1.7 cm(-1), which are in a reasonable agreement with their calculated values (J = -9.79 and +0.68 cm(-1) respectively, for 1 and 2). The role of bridging halides in the structure and magnetic properties of the complexes are investigated, and a possible magneto-structural correlation has been established. Influence of spin density of bridging halides on the magnitude of coupling constants has been discussed with the help of density functional theory (DFT) calculations.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.title.enFramework Solids Based on Copper(II) Halides (Cl/Br) and Methylene-Bridged Bis(1-hydroxybenzotriazole): Synthesis, Crystal Structures, Magneto-Structural Correlation, and Density Functional Theory (DFT) Studies.
dc.typeArticle de revue
dc.identifier.doi10.1021/ic300629v
dc.subject.halChimie/Matériaux
bordeaux.journalInorganic Chemistry
bordeaux.page10148-10157
bordeaux.volume51
bordeaux.issue19
bordeaux.peerReviewedoui
hal.identifierhal-00745565
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00745565v1
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