Abstract
Graph-theoretical rules concerning the HOMO-LUMO separation in conjugated hydrocarbons are given. It has been found that a closure of odd-membered rings will not essentially change the HOMO-LUMO energy gap (ΔΕ). However, ΔΕ will be shifted down or up depending whether a (4m + 1)-or (4m + 3)-ring is closed. A closure of an even-membered ring increase the value of ΔΕ in the case of (4m + 2)- and decrease ΔΕ value in the case of (4m)-cycles if delocalized rings are formed. The effect is opposite if quinonoid rings are generated.
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