An Atlas of Fullerenes

by Fowler, P. W.; Manolopoulos, D. E.

• ISBN13: 9780198557876
• ISBN10: 0198557876
• Format: Hardcover
• Copyright: 1995-03-02
• Publisher: Oxford University Press

Summary

An introduction to the current state of theory in a new and lively field, this volume offers both students and researchers a practical guide. It features a comprehensive set of pictures of fullerene structures and tabulates their properties. In addition, it lists a computer program that will extend the tables as needed.

Table of Contents

Introduction	p. 1
The fullerene hypothesis	p. 2
From hypothesis to experimental fact	p. 5
The need for a systematic theory	p. 9
What this book contains	p. 10
References and notes	p. 12
Fullerene cages	p. 15
Fullerene polyhedra	p. 15
Fullerene duals	p. 17
The Coxeter construction	p. 18
Fullerene graphs	p. 22
The spiral conjecture	p. 23
The spiral algorithm	p. 27
How many fullerenes are there?	p. 31
A fullerene without a spiral	p. 35
Concluding remarks	p. 39
References and notes	p. 41
Electronic structure	p. 43
Qualitative molecular orbital theory	p. 44
Open, closed, and pseudo-closed shells	p. 47
Icosahedral fullerenes	p. 50
The leapfrog transformation	p. 51
Carbon cylinders	p. 59
Sporadic closed shells	p. 62
Conclusion	p. 65
References and notes	p. 66
Steric strain	p. 68
Steric strain and rehybridization	p. 69
The isolated-pentagon rule	p. 73
Pentagon indices for lower fullerenes	p. 75
Hexagon indices for higher fullerenes	p. 80
Steric strain in leapfrogs and carbon cylinders	p. 84
Selected higher fullerene examples	p. 88
References and notes	p. 93
Symmetry and spectroscopy	p. 95
The fullerene point groups	p. 95
Topological coordinates	p. 101
Symmetry assignment	p. 105
[superscript 13]C NMR spectra	p. 111
IR and Raman spectra	p. 113
References and notes	p. 118
Fullerene isomerization	p. 120
The Stone-Wales rearrangment	p. 120
Symmetry aspects	p. 125
Chirality and the Stone-Wales transformation	p. 129
Isomerization maps	p. 131
The C[subscript 60] Stone-Wales map	p. 141
Isomer distributions	p. 145
References and notes	p. 147
Carbon gain and loss	p. 149
C[subscript 2] insertion and extrusion	p. 150
Symmetry aspects of C[subscript 2] processes	p. 153
Insertion/extrusion maps	p. 157
References and notes	p. 163
The Spiral computer program	p. 165
Atlas tables	p. 177
General fullerene isomers C[subscript 20] to C[subscript 50]	p. 180
Isolated-pentagon isomers C[subscript 60] to C[subscript 100]	p. 254
Index	p. 389
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