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Topological Approach to the Chemistry of Conjugated Molecules

  • Ante Graovac
  • Ivan Gutman
  • Nenad Trinajstić

Part of the Lecture Notes in Chemistry book series (LNC, volume 4)

Table of contents

  1. Front Matter
    Pages I-IX
  2. Ante Graovac, Ivan Gutman, Nenad Trinajstić
    Pages 1-3
  3. Ante Graovac, Ivan Gutman, Nenad Trinajstić
    Pages 4-47
  4. Ante Graovac, Ivan Gutman, Nenad Trinajstić
    Pages 48-78
  5. Ante Graovac, Ivan Gutman, Nenad Trinajstić
    Pages 79-94
  6. Ante Graovac, Ivan Gutman, Nenad Trinajstić
    Pages 95-113
  7. Ante Graovac, Ivan Gutman, Nenad Trinajstić
    Pages 114-114
  8. Ante Graovac, Ivan Gutman, Nenad Trinajstić
    Pages 115-120
  9. Back Matter
    Pages 121-123

About this book

Introduction

"The second step is to determine constitution, Le. which atoms are bonded to which and by what types of bond. The result is ex­ pressed by a planar graph (or the corresponding connectivity mat­ rix) •••• In constitutional formulae, the atoms are represented by letters and the bonds by lines. They describe the topology of the molecule." VLADIMIR PRELOG, Nobel Lecture, December l2;h 1975. In the present notes we describe the topological approach to the che­ mistry of conjugated molecules using graph-theoretical concepts. Con­ jugatedstructures may be conveniently studied using planar and connec­ ted graphs because they reflect in the simple way the connectivity of their pi-centers. Connectivity is important topological property of a molecule which allows a conceptual qualitative understanding, via a non­ numerical analysis, of many chemical phenomena or at least that part of phenomenon which depends on topology. This would not be possible sole­ ly by means of numerical (molecular orbital) analysis.

Keywords

Energie Graph Konjugation (Chem.) Molekülmodell resonance energy

Authors and affiliations

  • Ante Graovac
    • 1
  • Ivan Gutman
    • 1
  • Nenad Trinajstić
    • 1
  1. 1.The Rugjer Bošković InstituteZagrebCroatia, Yugoslavia

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-93069-0
  • Copyright Information Springer-Verlag Berlin Heidelberg 1977
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-540-08431-0
  • Online ISBN 978-3-642-93069-0
  • Series Print ISSN 0342-4901
  • Series Online ISSN 2192-6603
  • Buy this book on publisher's site
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