The Band Structure of the One-Dimensional (Bisglyoximato)Ni(II) System

  • M. C. Böhm
Part of the Lecture Notes in Chemistry book series (LNC, volume 45)


(Bisglyoximato)Ni(II), Ni(gly)2 see fig. IV.16, is employed for an analysis of torsional energies in 1D organometallic systems as well as a quantification of intracell and intercell interactions as a function of certain details of the stacking geometry. Ni(gly)2 has been the subject of tight-binding studies on the basis of the semiempirical INDO CO Hamiltonian that has been used as principal computational framework for the present lecture note [IV.74–1V.77]; a simple one-electron approach based on the popular Wolfsberg-Helmholtz Hamiltonian has been published at the same time [IV.78]. Ni(gly)2 and a large number of alkyl or phenyl derivatives belong to a class of organometallic 1D systems that have been studied extensively in the late seventies [IV.79,IV.80]. Experimental studies have shown that partial oxidation with Br or I leads to conductivities and transport properties that are characteristic for semiconducting solids. The relevant experimental quantities are neither a function of the transition-metal center (Ni or Pd) nor a function of the halide sites (Br or I). The predominant halide component in Ni(gly)I is I 5 ; the fractional oxidation state in the 1D column is thus +0.2.


Unit Cell Dimension Rotational Barrier Torsional Energy Stagger Conformation Organometallic System 
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© Springer-Verlag Berlin Heidelberg 1987

Authors and Affiliations

  • M. C. Böhm
    • 1
  1. 1.Institut für Physikalische Chemie, Physikalische Chemie IIITechnische Hochschule DarmstadtDarmstadtDeutschland

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