Synthesis, crystal structure, conductivity and magnetic properties of trifluoromethylated dinuclear copper(II) complexes with tetracyanoquinodimethane

Lacroix, Pascal G.; Daran, Jean‐Claude

doi:10.1039/a607166j

Cited by 23 publications

(5 citation statements)

References 51 publications

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“…The quantum chemical calculation of parameter 2J was performed in the framework of the "broken symmetry" method for the theoretical study of exchange interactions in the synthesized complexes [22][23][24][25]. The exchange parameters were calculated for both the fixed (from the X ray diffraction data) and preliminarily optimized geometries of the complexes.…”

Section: Resultsmentioning

confidence: 99%

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Influence of the bridging coordination of DMSO on the exchange interaction character in the binuclear copper(II) complex with the nonsymmetrical exchange fragment

et al. 2014

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The binuclear copper(II) complex [Cu 2 L(CH 3 COO)] (I), where L 3-is the azomethine trianion based on 3 methyl 4 formyl 1 phenylpyrazol 5 one and 1,3 diaminopropan 2 ol, and its DMSO adduct (II) in which the DMSO molecule acts as an additional bridging ligand are synthesized. The structure of com plex II is determined by X ray diffraction analysis, and the structure parameters of the coordination unit of complex I are determined by EXAFS spectroscopy. The µ 2 coordination of the DMSO molecule in com pound II results in a change in the sign of the exchange interaction parameter. In complex I, the antiferro magnetic exchange interaction (2J = -169 cm -1 ) occurs between the copper(II) ions. The exchange inter action of the ferromagnetic type (2J = 174 cm -1 ) is observed in complex II. The quantum chemical calcula tions of the magnetic exchange parameters by the density functional theory method show that the role of the DMSO molecule as a switch of the exchange interaction character is exclusively the stabilization of the "bro ken" conformation of the metallocycles.

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Section: Resultsmentioning

confidence: 99%

“…The earlier approved [21] proce dure based on the known "broken symmetry" approach [22][23][24][25] was used for the calculation of the exchange parameters 2J. The geometry was optimized over all geometric parameters without symmetry restraints.…”

Section: Introductionmentioning

confidence: 99%

Influence of the bridging coordination of DMSO on the exchange interaction character in the binuclear copper(II) complex with the nonsymmetrical exchange fragment

et al. 2014

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“…25 The exchange parameters 2J were calculated using the earlier tested 26, 27 broken symmetry (BS) approach. [28][29][30] The exchange parameters in terms of the BS approach were calculated according to Eq. (1), which works well in combination with hybrid functionals: 31 (1) where E and ‹S 2 › are the total energy and the expected value of the square of the total spin of states, respectively; the indices HS and BS are used to denote the high spin and broken symmetry states, respectively.…”

Section: Methodsmentioning

confidence: 99%

Binuclear copper(ii) and nickel(ii) complexes based on N,N′-bis(3-formyl-5-tert-butylsalicylidene)-1,3-diaminopropan-2-ol: physicochemical and theoretical study

et al. 2014

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Binuclear Cu II and Ni II complexes with exogenous acetate and pyrazolate bridges were synthesized and studied. It was shown that the  2 coordination of the DMSO molecule in an acetate bridged Cu II complex leads to the inversion of the sign of the exchange interaction parameter. Quantum chemical calculations of the geometry of the complexes and the magnetic exchange parameters showed that the role of the DMSO molecule is to stabilize the "distorted" conformation of metallocycles.Hydrazones and azomethines of multifunctional carbo nyl compounds are among the most extensively studied ligands in modern coordination and supramolecular chem istry. 1-4 These ligand systems are characterized by the formation of binuclear complexes exhibiting ex change interactions between metal ions, which can be both antiferro and ferromagnetic. 5-10 The magnetochemi cal analysis of such exchange coupled systems is an important area of coordination chemistry. The chal lenge of this area is to prepare polynuclear complexes hav ing a high magnetic moment and capable of sustain ing magnetization, which are known as single molecule magnets. 11-15There are a lot of literature data on the structures and magnetic properties of binuclear complexes with bis azomethines of 1,3 diaminopropan 2 ol based on salicyl aldehyde or  diketones. 10 However, only complexes based on symmetrical macrocyclic bis azomethines of 1,3 diaminopropan 2 ol and 2,6 diformyl 4 R phenols were described. 1, [16][17][18] In the present work, we report on the results of the study of binuclear copper(II) and nickel(II) complexes based on N,N´ bis(3 formyl 5 tert butylsalicylidene) 1,3 diaminopropan 2 ol (H 3 L).Due to the presence of two free formyl groups in the azomethine molecule H 3 L, it is possible not only to pre pare binuclear complexes with an asymmetrical exchange fragment but also to form ligand systems with different amines and hydrazines capable of chelating two more metal ions. This opens a route to the synthesis of both homo and heteronuclear complexes containing four paramag netic exchange coupled centers. ExperimentalThe compounds H 3 L and [Cu 2 L(OAc)] (1) were synthesized according to a procedure described earlier. 19 The DMSO solvate of (     2 acetato O,O´) [     2 1,3 bis(3 formyl 5 tert butylsalicylidenealdiminato)propan 2 olate O,N,N´]

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“…It also has not been documented that the diamide ligand was used to catalyze the Biginelli reaction. Moreover, Schiff base is a compound containing a C═N bond, and there are various kinds of Schiff base, such as single Schiff base, double Schiff base, macrocyclic Schiff base, and other types of Schiff base . Symmetrical bis‐Schiff base plays an important role in coordination chemistry because of its special structure.…”

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Novel and Efficient Synthesis of DHPMs Catalyzed by di‐DACH‐Pyridylamide Ligands

Song

Che

et al. 2014

Journal of Heterocyclic Chem

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Di‐DACH‐pyridylamide ligands, symmetrical bridged bis‐Schiff base, and spiro pyrrolizines as catalysts in the synthesis of dihydropyrimidinethiones (DHPMs) using the Biginelli reaction is first reported. This new protocol has the advantages of environmental friendliness, short reaction time, excellent yields, and simple post‐treatment procedure. A series of DHPMs were obtained in high yields (up to 98%) in only 6 h. Moreover, based on the optimized condition, a novel Biginelli‐like reaction was first developed.

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Synthesis, crystal structure, conductivity and magnetic properties of trifluoromethylated dinuclear copper(II) complexes with tetracyanoquinodimethane

Cited by 23 publications

References 51 publications

Influence of the bridging coordination of DMSO on the exchange interaction character in the binuclear copper(II) complex with the nonsymmetrical exchange fragment

Influence of the bridging coordination of DMSO on the exchange interaction character in the binuclear copper(II) complex with the nonsymmetrical exchange fragment

Binuclear copper(ii) and nickel(ii) complexes based on N,N′-bis(3-formyl-5-tert-butylsalicylidene)-1,3-diaminopropan-2-ol: physicochemical and theoretical study

Novel and Efficient Synthesis of DHPMs Catalyzed by di‐DACH‐Pyridylamide Ligands

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