Binuclear copper(II) complexes with N3S-coordinate tripodal ligand and mixed azide-carboxylate bridges: Synthesis, crystal structures and magnetic properties

Sadhu, Mehul H.; Mathonière, Corine; Patil, Yogesh P.; Kumar, Sujit Baran

doi:10.1016/j.poly.2016.11.036

Cited by 17 publications

(4 citation statements)

References 49 publications

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“…cooper based compounds have served as primordial tools in revealing the interdependence between exchange and structure parameters [18,[21][22][23][24]. It is worth mentioning that, the relationship between bridging composition and magnetic exchange phenomena may be attributed to the study of different ligand bridged complexes with a variety of magnetic centers [25][26][27][28][29][30]. Other prominent investigations related to the magneto-structural effects are complexes with Fe magnetic centers [31][32][33][34][35], Ni based compounds [36][37][38][39][40][41] and Mn spin clusters [42][43][44][45][46][47][48].…”

Section: Introductionmentioning

confidence: 99%

Molecular magnetism in the multi-configurational self-consistent field method

Georgiev¹,

Chamati²

2020

J. Phys.: Condens. Matter

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We develop a structured theoretical framework used in our recent articles (2019 Eur. Phys. J. B 92 93 and 2020 Phys. Rev. B 101 094427) to characterize the unusual behavior of the magnetic spectrum, magnetization and magnetic susceptibility of the molecular magnet Ni4Mo12. The theoretical background is based on the molecular orbital theory in conjunction with the multi-configurational self-consistent field method and results in a post-Hartree–Fock scheme for constructing the corresponding energy spectrum. Furthermore, we construct a bilinear spin-like Hamiltonian involving discrete coupling parameters accounting for the relevant spectroscopic magnetic excitations, magnetization and magnetic susceptibility. The explicit expressions of the eigenenergies of the ensuing Hamiltonian are determined and the physical origin of broadening and splitting of experimentally observed peaks in the magnetic spectra is discussed. To demonstrate the efficiency of our method we compute the spectral properties of a spin-one magnetic dimer. The present approach may be applied to a variety of magnetic units based on transition metals and rare Earth elements.

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Section: Introductionmentioning

confidence: 99%

Molecular magnetism in the multi-configurational self-consistent field method

Georgiev¹,

Chamati²

2020

J. Phys.: Condens. Matter

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“…Towards our search for better bioactive molecules, a series of new copper(II) complexes ( 1 ‐ 8 ) have been synthesized using two pyrazolyl based ligands N,N ‐bis((3,5‐dimethyl‐ 1H ‐pyrazol‐1‐yl)methyl)‐2‐(phenylthio)ethan‐1‐amine (bdmpe) and N,N ‐bis(( 1H ‐pyrazol‐1‐yl)methyl)‐2‐(phenylthio)ethan‐1‐amine (bpmpe) as per Scheme . Mononuclear and ionic nature of the complexes were determined by single crystal diffraction studies of the complexes 1 , 5 and 7 and other methods .…”

Section: Resultsmentioning

confidence: 99%

Mononuclear Copper(II) Halide Complexes with Tetradentate N₃S‐Coordinate Ligands: Synthesis, Structures and Bioactivities

et al. 2018

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A series of mononuclear copper(II) complexes [Cu(bdmpe/bpmpe)X]Y [bdmpe= N,N‐bis((3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methyl)‐2‐(phenylthio)ethan‐1‐amine, Y=PF6−, X=Cl 1, Br 3 and Y=BF4−, X=Cl 2, Br 4; bpmpe=N,N‐bis((1H‐pyrazol‐1‐yl)methyl)‐2‐(phenylthio)ethan‐1‐amine; Y=PF6−, X=Cl 5, Br 7 and Y=BF4−, X=Cl 6, Br 8] have been synthesized by the reaction of copper halides with ligands bdmpe/bpmpe in presence of Y and characterized. Single crystal X‐ray crystallography study indicates that complexes are mononuclear with distorted square pyramidal geometry. Complexes 1 and 7 show supramolecular dimeric nature due to short intermolecular interactions. The antimicrobial activity of all complexes were investigated against Gram positive (Bacillus subtilis, Streptococcus aureus) and Gram negative (Escherichia coli, Pseudomonas aeruginosa) bacterial strain by agar well dilution method and have demonstrated significant antimicrobial activity of the compounds. The studies on the interaction of complexes and DNA by agarose gel electrophoresis method revealed that the complexes can effectively cleave the circular plasmid DNA at very low concentrations.

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“…In that regard, cooper based compounds have served as primordial tools in revealing the interdependence between exchange and structure parameters [18,[21][22][23][24]. It is worth mentioning that, the relationship between bridging composition and magnetic exchange phenomena may be attributed to the study of different ligand bridged complexes with a variety of magnetic centers [25][26][27][28][29][30]. Other prominent investigations related to the magneto-structural effects are complexes with Fe magnetic centers [31][32][33][34][35], Ni based compounds [36][37][38][39][40][41] and Mn spin clusters [42][43][44][45][46][47][48].…”

Section: Introductionmentioning

confidence: 99%

Molecular magnetism in the multi-configurational self-consistent field method

Georgiev,

Chamati

2022

Preprint

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We develop a structured theoretical framework used in our recent articles [Eur. Phys. J. B 92, 93 (2019) and Phys. Rev. B 101, 094427 (2020)] to characterize the unusual behavior of the magnetic spectrum, magnetization and magnetic susceptibility of the molecular magnet Ni 4 Mo 12 . The theoretical background is based on the molecular orbital theory in conjunction with the multi-configurational self-consistent field method and results in a post-Hartree-Fock scheme for constructing the corresponding energy spectrum. Furthermore, we construct a bilinear spin-like Hamiltonian involving discrete coupling parameters accounting for the relevant spectroscopic magnetic excitations, magnetization and magnetic susceptibility. The explicit expressions of the eigenenergies of the ensuing Hamiltonian are determined and the physical origin of broadening and splitting of experimentally observed peaks in the magnetic spectra is discussed. To demonstrate the efficiency of our method we compute the spectral properties of a spin-one magnetic dimer. The present approach may be applied to a variety of magnetic units based on transition metals and rare earth elements.

show abstract

Binuclear copper(II) complexes with N3S-coordinate tripodal ligand and mixed azide-carboxylate bridges: Synthesis, crystal structures and magnetic properties

Cited by 17 publications

References 49 publications

Molecular magnetism in the multi-configurational self-consistent field method

Molecular magnetism in the multi-configurational self-consistent field method

Mononuclear Copper(II) Halide Complexes with Tetradentate N₃S‐Coordinate Ligands: Synthesis, Structures and Bioactivities

Molecular magnetism in the multi-configurational self-consistent field method

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Binuclear copper(II) complexes with N3S-coordinate tripodal ligand and mixed azide-carboxylate bridges: Synthesis, crystal structures and magnetic properties

Cited by 17 publications

References 49 publications

Molecular magnetism in the multi-configurational self-consistent field method

Molecular magnetism in the multi-configurational self-consistent field method

Mononuclear Copper(II) Halide Complexes with Tetradentate N3S‐Coordinate Ligands: Synthesis, Structures and Bioactivities

Molecular magnetism in the multi-configurational self-consistent field method

Contact Info

Product

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Mononuclear Copper(II) Halide Complexes with Tetradentate N₃S‐Coordinate Ligands: Synthesis, Structures and Bioactivities