6533b862fe1ef96bd12c7564
RESEARCH PRODUCT
Crystal structure and electronic properties of bis(mepirizole) copper(II) perchlorate. Correlation between the electronic spectrum and CuN4 chromophore distortion from tetrahedral symmetry
Joaquín BorrásC. Foces-focesF. H. CanoM. C. MollaJ. GarciaM. Martinez Ripollsubject
chemistry.chemical_classificationSteric effectsMetals and AlloysCrystal structureChromophoreDihedral angleTetrahedral symmetryInorganic ChemistryCrystallographyTetragonal crystal systemchemistryX-ray crystallographyMaterials ChemistryInorganic compounddescription
The crystal structure of the title compound has been determined from single-crystal x-ray diffraction data. The crystals are tetragonal, space group P42212, withz=2 in a unit cell of dimensionsa=b=9.575(2),c=16.135(5) A. The structure was solved by the usual Patterson and Fourier techniques, and was refined by least-squares analysis to an R value of 0.057 for 545 observed reflexions. Two mepirizole molecules are arranged in a flattened tetrahedral manner (average Cu-N, 1.974 A) around Cu, and coordinated through N atoms. The dihedral angle between N-Cu-N planes of the two ligands is 53.6+°. This geometry seems to result from steric interaction between the ligands. The e.s.r. spectrum is axial (g∥ ≫ g⊥ > 2.0). A study of the maximum d-d transition as a function of CuN4 chromophore distortion from Td symmetry is reported.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1985-01-01 | Transition Metal Chemistry |