Cyvin / Brunvoll Theory of Coronoid Hydrocarbons

1991
ISBN: 978-3-642-51110-3
Verlag: Springer
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, Band 54, 174 Seiten, eBook

Reihe: Lecture Notes in Chemistry

Zielgruppe

Research

Autoren/Hrsg.

Cyvin, Sven J.

Brunvoll, Jon

Cyvin, Bjorg N.

Inhaltsverzeichnis

I — Introduction.- 1 — Coronoid Hydrocarbons.- 1.1 Introduction.- 1.2 Cycloarenes.- 1.2.1 The Story of Kzkulen.- 1.2.2 Other Cycloarene.- 1.3 Corannulenes.- 1.4 Other Macrocyclic Conjugated Hydrocarbons.- 1.4.1 Introductio.- 1.4.2 Annulene.- 1.4.3 Annulenoannulene.- 1.4.4 Annelated Annulene.- 2 — Coronoids and Coronoid-Like Systems.- 2.1 Coronoid System.- 2.1.1 Basic Definitions.- 2.1.2 Terminology.- 2.2 Interlude.- 2.2.1 Coronoid Systems and Coronoid Hydrocarbons.- 2.2.2 Kekulé Structures.- 2.3 Non-Coronoid Systems.- 2.4 Degenerate Coronoid Systems.- 2.5 Quasi-Coronoid Systems.- 2.5.1 Coronene and Some of Its Derivatives.- 2.5.2 Helicenic Systems.- 2.6 Concluding Remarks.- II — Anatomy.- 3 — Anatomy: General Treatment.- 3.1 Introduction.- 3.2 Basic Concepts.- 3.2.1 Hexagon Modes and Some Structural Features.- 3.2.2 Vertices and Edges. Some Invariants.- 3.2.3 Extremal Values of Some Invariants.- 3.2.4 Coloring of Vertices. More Invariants.- 3.3 Classification.- 3.3.1 Introduction.- 3.3.2 Classification According to Internal Vertices.- 3.3.3 Kekuléan and non-Kekuléan Coronoids.- 3.3.4 The “neo” Classification.- 3.3.5 Introduction to Regular and Half Essentially Disconnected Coronoids.- 3.3.6 Regular Addition and Regular Tearing Down.- 3.3.7 The “rheo” and “rio” Classifications.- 3.3.8 Symmetry.- 3.4 Aromatic Sextets and All-Coronoids.- 3.4.1 Aromatic Sextet.- 3.4.2 Clar Structure.- 3.4.3 All-Coronoid.- 4 — Primitive Coronoids (I) and Annulenes: Anatomy.- 4.1 Introduction.- 4.2 Some Topological Properties of Primitive Coronoids.- 4.2.1 Definition.- 4.2.2 Corona Hole.- 4.2.3 Corners.- 4.2.4 Segments.- 4.2.5 Perimeters “.- 4.2.6 Symmetry.- 4.3 Notation.- 4.4 Associated Chain with a Primitive Coronoid.- 4.4.1 Definition.- 4.4.2 Single Unbranched Chains.- 4.5 Hollow Hexagon.- 4.6 Extremal Properties of the Corona Holes of Primitive Coronoids.- 4.7 Annulene.- III — Enumeration.- 5 — Enumeration: General Treatment and Coarse Classifications.- 5.1 Introduction.- 5.2 General Principles.- 5.3 Survey of Polyhexes.- 5.4 Some Coarse Classifications of Coronoids.- 5.4.1 Catacondensed and Pericondensed.- 5.4.2 The vio Classification.- 5.4.3 Classification According to Color Excess Benzenoids p. 67; Color Excess for Coronoids p. 68; Forms of Extremal Coronoids p. 70; Conjectures p. 72.- 5.4.4 Symmetry.- 5.5 Conclusion.- 6 — Primitive Coronoids (II) and Annulenes: Enumeration.- 6.1 Previous Work.- 6.2 Hollow Hexagons.- 6.2.1 Method of Generation (I).- 6.2.2 Symmetry Considerations.- 6.2.3 Enumeration Results.- 6.2.4 Method of Generation (II).- 6.2.5 Forms.- 6.3 Primitive Coronoids.- 6.3.1 Method of Generation (I).- 6.3.2 Method of Generation (II).- 6.3.3 Extended Computations.- 6.3.4 Forms.- 6.4 Primitive Coronoids with Constant Segment Lengths.- 6.4.1 Introductory Remarks.- 6.4.2 Primitive Coronoids with 2-Segments Only.- 6.4.3 Primitive Coronoids with Z-Segments Only, Especially for Z > 2.- 6.5 Annulenes.- 7 — Enumeration and Classification of Non-Primitive Coronoids.- 7.1 Non-Primitive Kekuléan Coronoids.- 7.1.1 Regular Systems.- 7.1.2 Irregular Systems.- 7.2 Classification According to the Color Excess.- 7.3 Concealed Non-Kekuléan Coronoids.- 8 — Enumeration and Classification of Coronoids with Definite Holes.- 8.1 Introduction.- 8.2 Supplementary Topological Properties.- 8.2.1 Outside and Inside Features.- 8.2.2 Basic Coronoid.- 8.3 Basic Coronoids.- 8.3.1 Generation and Enumeration.- 8.3.2 Forms.- 8.4 Definite Corona Holes.- 8.4.1 First Survey.- 8.4.2 Second Survey.- 8.4.3 Detailed Classification.- 9 — Enumeration: Numbers of Internal Vertices.- 9.1 Introduction.- 9.2 Coronoid Chemical Isomers.- 9.3 Computational Results.- 9.4 Corona Holes and their Invariants.- 9.4.1 Numbers of Corona Holes.- 9.4.2 Extremal Values Associated with Corona Holes.