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The conjugated circuits model

On the geometries of annelated [n]annulenes

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Abstract

Several annelated [n]annulenes are examined from a graph-theoretical point of view. It is shown how a new interpretation of the conjugated circuit model can be used in order to study the geometries of such compounds. The work illustrates which energetical factors determine whether a structure with alternating bond lengths, or with reduced symmetry is more stable than one with full double bond delocalization or full symmetry.

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Author information

Authors and Affiliations

  1. Siemens AG, Otto-Hahn-Ring 6, D-8000, München 83, Germany

    Helmut Vogler

  2. The Rugjer Bošković Institute, P.O.B. 1016, Yu-41001, Zagreb, Croatia, Yugoslavia

    Nenad Trinajstić

Authors
  1. Helmut Vogler
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  2. Nenad Trinajstić
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Dedicated to Professor J. Koutecký on the occasion of his 65th birthday. He taught us that the progress of chemical science is related to the development of conceptual models with wide ranges of applicability and portability

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Vogler, H., Trinajstić, N. The conjugated circuits model. Theoret. Chim. Acta 73, 437–448 (1988). https://doi.org/10.1007/BF00527747

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  • DOI: https://doi.org/10.1007/BF00527747

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