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.
RIZZOLI, Corrado
Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, [GIAF]
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Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, [GIAF]
RIZZOLI, Corrado
Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, [GIAF]
< Réduire
Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, [GIAF]
Langue
en
Article de revue
Ce document a été publié dans
Inorganic Chemistry. 2012-10-01, vol. 51, n° 19, p. 10148-10157
American Chemical Society
Résumé en anglais
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 ...Lire la suite >
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.< Réduire
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