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On the calculation of the energy in unsaturated hydrocarbon molecules

Published online by Cambridge University Press:  24 October 2008

C. A. Coulson
C. A. Coulson
Affiliation:
University CollegeDundee
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Extract

It frequently happens that we wish to evaluate the total energy of the mobile, or π, electrons in an unsaturated hydrocarbon molecule. According to the method of molecular orbitals(1) this energy is the sum of individual electronic energies ∊r, and the summation is over all the occupied orbitals. The energies ∊r are the roots of the secular determinant, and, if we write

and suppose that there are n unsaturated carbon atoms, then the equation that gives the energies zr is

Type
Research Article
Information
Mathematical Proceedings of the Cambridge Philosophical Society , Volume 36 , Issue 2 , April 1940 , pp. 201 - 203
Copyright
Copyright © Cambridge Philosophical Society 1940

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References

REFERENCES

(1)Lennard-Jones, and Coulson, . Trans. Faraday Soc. 35 (1939), 811.CrossRefGoogle Scholar
(2)Coulson, and Rushbrooke, . Proc. Cambridge Phil. Soc. 40 (1940), 193.CrossRefGoogle Scholar
(3)Hückel, E.Z. Phys. 76 (1932), 628.CrossRefGoogle Scholar
(4)Bickley, . Math. Gaz. 33 (1939), 352.CrossRefGoogle Scholar