Journal
CHEMISTRY-SWITZERLAND
Volume 2, Issue 3, Pages 626-644Publisher
MDPI
DOI: 10.3390/chemistry2030039
Keywords
copper(II) complexes; pyrazolato ligands; supramolecular assembly; X-ray crystallography; magnetic susceptibility; EPR spectroscopy; isotropic exchange; antisymmetric exchange; dipolar interaction; DFT calculations
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Funding
- National Science Foundation [CHE-1213683]
- Department of Inorganic Chemistry, Palacky University in Olomouc, Czech Republic
- National Programme of Sustainability I of the Ministry of Education, Youth and Sports of the Czech Republic [LO1305]
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Two anionic complexes, {[Cu-3(mu(3)-OH)(mu-4-Ph-pz)(3)Cl-3](2)[Cu(4-Ph-pzH)(4)](mu-Cl)(2)}(2-) (1) and [Cu-3(mu(3)-OH)(mu-pz)(3)(mu(1,1)-N-3)(2)(N-3)](-) (2), crystallize as one-dimensional polymers, held together by weak Cu-(mu-Cl) and Cu-(mu-N-3) interactions, respectively. Variable temperature magnetic susceptibility analyses determined the dominant antiferromagnetic intra-Cu-3 exchange parameters in the solid state for both complexes, whereas the weak ferromagnetic inter-Cu-3 interactions manifested also in the solid state EPR spectra, are absent in the corresponding frozen solution spectra. DFT calculations were employed to support the results of the magnetic susceptibility analyses.
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