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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.identifier | Department of Chemistry | |
dc.contributor.author | SASMAL, Ashok | |
hal.structure.identifier | Department of Chemistry | |
dc.contributor.author | SHIT, Shyamapada | |
hal.structure.identifier | Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, [GIAF] | |
dc.contributor.author | RIZZOLI, Corrado | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | WANG, Hongfeng | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | DESPLANCHES, Cédric | |
hal.structure.identifier | Department of Chemistry | |
dc.contributor.author | MITRA, Samiran | |
dc.date.issued | 2012-10-01 | |
dc.identifier.issn | 0020-1669 | |
dc.description.abstractEn | A 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.iso | en | |
dc.publisher | American Chemical Society | |
dc.title.en | 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. | |
dc.type | Article de revue | |
dc.identifier.doi | 10.1021/ic300629v | |
dc.subject.hal | Chimie/Matériaux | |
bordeaux.journal | Inorganic Chemistry | |
bordeaux.page | 10148-10157 | |
bordeaux.volume | 51 | |
bordeaux.issue | 19 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-00745565 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-00745565v1 | |
bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Inorganic%20Chemistry&rft.date=2012-10-01&rft.volume=51&rft.issue=19&rft.spage=10148-10157&rft.epage=10148-10157&rft.eissn=0020-1669&rft.issn=0020-1669&rft.au=SASMAL,%20Ashok&SHIT,%20Shyamapada&RIZZOLI,%20Corrado&WANG,%20Hongfeng&DESPLANCHES,%20C%C3%A9dric&rft.genre=article |
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