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The electronic structures of large π-electron systems (graphite, polyacenes, cumulenes)

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Theoretical and Experimental Chemistry Aims and scope

Abstract

These structures are calculated via the generalized Hartree-Fock method, in which electrons with opposed spin projections may take up different MO [molecular orbitals]. The results do not conflict with the available experimental evidence. An experiment is proposed to detect the antiferromagnetic spin structure predicted for cumulenes of sufficient length.

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Authors and Affiliations

  1. Karpov Institute of Physical Chemistry, Moscow

    I. A. Misurkin & A. A. Ovchinnikov

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  1. I. A. Misurkin
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  2. A. A. Ovchinnikov
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Misurkin, I.A., Ovchinnikov, A.A. The electronic structures of large π-electron systems (graphite, polyacenes, cumulenes). Theor Exp Chem 4, 1–5 (1970). https://doi.org/10.1007/BF00525936

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  • DOI: https://doi.org/10.1007/BF00525936

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