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

Sasmal, Ashok; Shit, Shyamapada; Rizzoli, Corrado; Wang, Hongfeng; Desplanches, Cédric; Mitra, Samiran

doi:10.1021/ic300629v

Cited by 34 publications

(10 citation statements)

References 114 publications

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“…Other 2and 2.212(2) Å) bond lengths in the square-pyramidal complex. These bond lengths and angles are in good agreement with that recently reported for analogous square-pyramidal Cu(II) species [62,[68][69][70][71][72]. In the outer sphere of complex the nitrate anion was found to be disordered.…”

Section: Structural Characterizationsupporting

confidence: 90%

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Structure and antioxidant superoxide dismutase activity of copper(II) hydrazone complexes

et al. 2017

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Three new mixed ligand hydrazone complexes viz., [Cu(L)(neocuprin)]NO 3 .H 2 O 1, [Cu(L)(HL)]ClO 4 2 and [Cu 2 (2-(2-pyridyl)benzimidazole) 2 (L) 2 ]ClO 4 3 (L = N'-[(E)phenyl(pyridin-2-yl)methylidene]furan-2-carbohydrazide) have been synthesized by the biomimetic synthesis strategy and their structures were determined by single crystals X-ray analysis. The effect of differing contagious, as well as the rotational conformational versatility of HL, was demonstrated by the difference in structures of complexes 1-3. These complexes exhibited the antioxidant superoxide dismutase enzymatic activity. The geometry of copper(II) atom in complex 1 is distorted square pyramidal while in complexes 2 and 3 the geometries around copper(II) atoms are distorted octahedral. Magnetic measurements and epr spectroscopy of binuclear complex 3 have shown antiferromagnetic exchange interaction with a coupling constant (J) =-10.87 cm-1. Electronic and spectral properties of these newly synthesized hydrazone complexes (1-3) are interpreted by DFT and TDDFT calculations. The results reveal that molecular structures have significant effect on antioxidant superoxide activity. Such biological experimental values (antioxidant SOD activity data) are indicative of the promising application of these complexes into the bioinorganic chemistry of superoxide dismutase.

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Section: Structural Characterizationsupporting

confidence: 90%

“…The reduction is irreversible with little or no anodic peak. In case of complex 2 an irreversible redox process with I pc /I pa << 1 was observed, which is typical of Cu(II)/Cu(I) reduction in many mononuclear complexes [72,[97][98][99]. Other CV data are tabulated in Table 6.…”

Section: Electrochemistry Of the Copper(ii) Complexesmentioning

confidence: 99%

Structure and antioxidant superoxide dismutase activity of copper(II) hydrazone complexes

et al. 2017

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“…The coordination geometry of the Cu center in 3 can be described as an asymmetrical tetrahedral unit. There is also a comparison of data available with this bond for another Cu complex in the literature, 45,46 as well as 14Å, respectively. It can be compared with previously published data.…”

Section: Crystal Structurementioning

confidence: 99%

Synthesis of Fe and Cu metal complexes derived from ‘SNS’ Pincer type ligands and their efficient catalyst precursors for the chemical fixation of $$\hbox {CO}_{2}$$ CO 2

et al. 2019

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Two novel tridentate SNS pincer type ligands, 2,6-bis[[(2-methoxyphenyl)thio]methyl]pyridine (L1) and 2,6-bis[[(2-chlorophenyl)thio]methyl]pyridine (L2), each possessing two sulfur and one nitrogen donor functionalities (SNS), based on 2,6-bis(thioether)pyridine ligands were prepared and metallised with CuCl 2 • 2H 2 O and FeCl 2 • 4H 2 O metal salts. Two new unanticipated complexes were obtained from the L2 ligand, the dimeric bidentate Cu(I) complex [Cu 2 (κ 2 −L2) 2 Cl 2 ] and tridentate Fe(II) complex [Fe(κ 3 −L2)Cl 2 ] while two new tridentate pincer-type complexes M(κ 3-L1)Cl 2 ] (M = Cu, Fe) were formed from the L1 ligand. It was observed that the structure of this Cu(I) complex has a tetrahedral geometry using single crystal Xray diffraction analysis. In addition, catalytic properties of metal complexes towards the formation of cyclic carbonates from CO 2 and epoxides were investigated. The less sterically hindered Fe(II) complex with the L1 ligand [Fe(κ 3 −L1)Cl 2 ] (2) showed the best catalytic activity. Several parameters including temperature, time, epoxide identity and CO 2 pressure were investigated to find the optimum catalytic reaction conditions. Moreover, DFT studies of these compounds are presented in the study.

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“…In addition, among the various inorganic components, the family of metal halides is very important due to their intriguing structures and properties 8. In some cases, the inorganic counterion X [X = Cl, Br, I] may be incorporated as an essential component to the metal–organic framework leading to high structural complexities and interesting properties 8d,9…”

Section: Introductionmentioning

confidence: 99%

Reversible Solvent‐Exchange‐Driven Transformations in Multifunctional Coordination Polymers Based on Copper‐Containing Organosulfur Ligands

et al. 2014

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The preparation by simple direct synthesis of a series of coordination polymers based on copper with chloride or bromide and dipyrimidinedisulfide is reported. The structural characterisations of these compounds reveal a rich structural variety as a result of the number of coordination modes available to the organosulfur ligand, in combination with the bridging capabilities of the halides. Interestingly, some of the polymers displayed fully reversible solvent exchange/removal crystal‐to‐crystal 2D to 0D and 2D to 2D transformations. These materials show multifunctional electronic properties. Thus, some of them are semiconductors and present weak antiferromagnetic interactions, and the CuI/CuII coordination polymers present coexistence of paramagnetism with weak red emission. These compounds present some of the lowest NIR energy luminescence in d10 transition‐metal complexes.

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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

Cited by 34 publications

References 114 publications

Structure and antioxidant superoxide dismutase activity of copper(II) hydrazone complexes

Structure and antioxidant superoxide dismutase activity of copper(II) hydrazone complexes

Synthesis of Fe and Cu metal complexes derived from ‘SNS’ Pincer type ligands and their efficient catalyst precursors for the chemical fixation of $$\hbox {CO}_{2}$$ CO 2

Reversible Solvent‐Exchange‐Driven Transformations in Multifunctional Coordination Polymers Based on Copper‐Containing Organosulfur Ligands

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