Publications [#233540] of Andrew T. McPhail

Journal Articles

  1. 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 TransactionsDecember,, 1976(1), 47-52, Royal Society of Chemistry (RSC) [Gateway.cgi], [doi].
    (last updated on 2026/01/21)

    Abstract:
    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.