Crystal and molecular structure, electron spin resonance, and electronic spectrum of tetrakis(imidazole)dinitratocopper(II)
The structure of the title compound has been established by single-crystal X-ray analysis. Crystals are orthorhombic, space group Pna21, a = 13.85(1), b = 9.83(1), c = 13.39(1) Å, Z = 4. The structure was solved by the heavy-atom method and atomic paramters were refined by full-matrix least-squares calculations tyo R 0.043 for 1 394 stattistically significant reflections from diffractometer measurements. The copper atom has a tetragonally distorted octahedral co-ordination in which four imidazole nitrogen atoms define the basal plane, mean Cu-N 2.011 Å, and unidentatate nitrato-oxygen atoms occupy the axial sites, mean Cu-O 2.566 Å. The mean copper atom displacement from the nitrato-group planes is 0.80 Å. The imidazole N-H groups all participate in an extensive N-H ⋯ O hydrogen bonded network involving one the nitrato-oxgen atoms. The single-crystal e.s.r. and polarised electronic spectra are also reported and the electronic structure of the chromophore discussed with reference to these and the crystallographic data.
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Related Subject Headings
- Inorganic & Nuclear Chemistry
- 3402 Inorganic chemistry
- 0399 Other Chemical Sciences
- 0307 Theoretical and Computational Chemistry
- 0302 Inorganic Chemistry
Citation
Published In
DOI
ISSN
Publication Date
Issue
Start / End Page
Related Subject Headings
- Inorganic & Nuclear Chemistry
- 3402 Inorganic chemistry
- 0399 Other Chemical Sciences
- 0307 Theoretical and Computational Chemistry
- 0302 Inorganic Chemistry