Abstract
The energy levels of benzene are calculated from a basis consisting of the five non-polar structures and tw enty-four polar structures, using the method given in part II. The role of polar structures is discussed. The results include a suggested new assignment for the 2080 Å bands of
A
1
g
-
E
2
g
, instead of
A
1
g
-
B
1
u
as required by molecular orbital theory. An intense
A
1
g
-
E
1
u
transition is calculated at 7·9 eV instead of the observed 6·7 to 7·0 eV. The disagreement with molecular orbital theory, to be dealt with more fully in a later paper, is briefly discussed.
Reference5 articles.
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4. Theory of Color of Organic Compounds
5. Z.phys. Chem. 21 410.
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