The electronic structure of the benzene molecule

@article{Copper1986TheES,
  title={The electronic structure of the benzene molecule},
  author={David L. Copper and J. Gerratt and M. Raimondi},
  journal={Nature},
  year={1986},
  volume={323},
  pages={699-701}
}
The Kekulé description of benzene as a mixture of the two structures and was given a firm foundation in quantum theory as a ‘resonance hybrid’ (see, for example, ref. 1). As molecular orbital (MO) theory developed, it was felt that the aromatic character of benzene was explained more naturally in terms of delocalized orbitais. The view that delocalized electrons provide essentially the correct description for this type of system appears to be accepted at all levels2; however, we present here… Expand
172 Citations

Paper Mentions

Electronic structure of the benzene molecule
  • 22
  • PDF
The non-covalent nature of the molecular structure of the benzene molecule.
  • 16
  • PDF
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 10 REFERENCES
The spin-coupled valence bond theory of molecular electronic structure. I. Basic theory and application to the 2Σ+ states of BeH
  • J. Gerratt, M. Raimondi
  • Chemistry
  • Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences
  • 1980
  • 87
Methods of Electronic Structure Theory
  • 1,671
Spin-coupled wave functions for atoms and molecules.
  • J. Gerratt, W. Lipscomb
  • Physics, Medicine
  • Proceedings of the National Academy of Sciences of the United States of America
  • 1968
  • 69
  • PDF
A-Level Chemistry
  • 23
Are there pi bonds in benzene?
  • Schultz, Messmer
  • Materials Science, Medicine
  • Physical review letters
  • 1987
  • 23