#### Croatica Chemica Acta, Vol. 47 No. 4, 1975.

Review article

**Graph Spectral Theory of Conjugated Molecules**

I. Gutman
; The Rugjer Boskovic Institute, 41001 Zagreb, Croatia, Yugoslavia

N. Trinajstić
; The Rugjer Boskovic Institute, 41001 Zagreb, Croatia, Yugoslavia

###### Abstract

The graph spectral theory of conjugated molecules is presented.

It is shown that the number of bonding, non-bonding, and

antibonding Ruckel molecular orbitals may be obtained directly

from the topological features of a conjugated molecule. Similarly,

it is also shown that the total Ruckel n-electron energy and the

:n:-resonance energy may be approximated rather accurately by the

corresponding topological expressions. The estimation of the n-electron

energy of infinite conjugated systems is also given. A graphical

classification of conjugated hydrocarbons is proposed and the

restricted extension of the Coulson-Rushbrooke pairing theorem

to certain heteroconjugated molecules is discussed.

###### Keywords

###### Hrčak ID:

196572

###### URI

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