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Crystal and molecular structure, electron spin resonance, and electronic spectrum of tetrakis(imidazole)dinitratocopper(II)

Publication ,  Journal Article
McFadden, DL; McPhail, AT; Gross, PM; Garner, CD; Mabbs, FE
Published in: Journal of the Chemical Society, Dalton Transactions
December 1, 1976

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.

Duke Scholars

Published In

Journal of the Chemical Society, Dalton Transactions

DOI

ISSN

1472-7773

Publication Date

December 1, 1976

Issue

1

Start / End Page

47 / 52

Related Subject Headings

  • Inorganic & Nuclear Chemistry
  • 3402 Inorganic chemistry
  • 0399 Other Chemical Sciences
  • 0307 Theoretical and Computational Chemistry
  • 0302 Inorganic Chemistry
 

Citation

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McFadden, D. L., McPhail, A. T., Gross, P. M., Garner, C. D., & Mabbs, F. E. (1976). Crystal and molecular structure, electron spin resonance, and electronic spectrum of tetrakis(imidazole)dinitratocopper(II). Journal of the Chemical Society, Dalton Transactions, (1), 47–52. https://doi.org/10.1039/DT9760000047
McFadden, D. L., A. T. McPhail, P. M. Gross, C. D. Garner, and F. E. Mabbs. “Crystal and molecular structure, electron spin resonance, and electronic spectrum of tetrakis(imidazole)dinitratocopper(II).” Journal of the Chemical Society, Dalton Transactions, no. 1 (December 1, 1976): 47–52. https://doi.org/10.1039/DT9760000047.
McFadden DL, McPhail AT, Gross PM, Garner CD, Mabbs FE. Crystal and molecular structure, electron spin resonance, and electronic spectrum of tetrakis(imidazole)dinitratocopper(II). Journal of the Chemical Society, Dalton Transactions. 1976 Dec 1;(1):47–52.
McFadden, D. L., et al. “Crystal and molecular structure, electron spin resonance, and electronic spectrum of tetrakis(imidazole)dinitratocopper(II).” Journal of the Chemical Society, Dalton Transactions, no. 1, Dec. 1976, pp. 47–52. Scopus, doi:10.1039/DT9760000047.
McFadden DL, McPhail AT, Gross PM, Garner CD, Mabbs FE. Crystal and molecular structure, electron spin resonance, and electronic spectrum of tetrakis(imidazole)dinitratocopper(II). Journal of the Chemical Society, Dalton Transactions. 1976 Dec 1;(1):47–52.

Published In

Journal of the Chemical Society, Dalton Transactions

DOI

ISSN

1472-7773

Publication Date

December 1, 1976

Issue

1

Start / End Page

47 / 52

Related Subject Headings

  • Inorganic & Nuclear Chemistry
  • 3402 Inorganic chemistry
  • 0399 Other Chemical Sciences
  • 0307 Theoretical and Computational Chemistry
  • 0302 Inorganic Chemistry