Topological Approach to the Chemistry of Conjugated Molecules
"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. Th...
| Main Authors: | , , |
|---|---|
| Format: | eBook |
| Language: | English |
| Published: |
Berlin, Heidelberg
Springer Berlin Heidelberg
1977, 1977
|
| Edition: | 1st ed. 1977 |
| Series: | Lecture Notes in Chemistry
|
| Subjects: | |
| Online Access: | |
| Collection: | Springer Book Archives -2004 - Collection details see MPG.ReNa |
Table of Contents:
- 1. Introduction
- 2. Graphs in Chemistry
- 2.1. Basic Definitions and Concepts of Graph Theory
- 2.2. Graphs and Topology
- 2.3. Graphs Representing Conjugated Molecules
- 2.4. Graph Spectrum. Sachs Theorem
- 2.5. Topology and Simple Molecular Orbital Model
- 2.6. Application of the Coulson-Sachs Graphical Method
- 2.7. Extension of Graph-Theoretical Considerations to Möbius Structures
- 3. Total Pi-Electron Energy
- 3.1. Introduction
- 3.2. Identities And Inequalities
- 3.3. The Coulson Integral Formula
- 3.4. Topological Factors Determining the Gross Part of Epi
- 3.5. The Influence of Cycles: The Hückel Rule
- 3.6. The Influence of KekulÉ Structures
- 3.7. The Influence of Branching
- 3.8. Summary
- 4. Resonance Energy
- 4.1. Introduction
- 4.2. Classical and Dewar Resonance Energies
- 4.3. Topological Resonance Energy
- 4.4. Tre as a Criterion of Aromatic Stability. Correlation with Experimental Findings
- 4.5. Concluding Remarks
- 5. Reactivity of Conjugated Structures
- 5.1. Localization Energy
- 5.2. Dewar Number
- 5.3. Topological Approach to Localization Energy
- 5.4. Topological Aspect of Dewar Number
- 5.5. Nonbonding Molecular Orbitals
- 6. Conclusions
- 7. Literature