Abstract
Photodegradation of 2,3,7,8‐tetrachlorodibenzo‐p‐dioxin (2,3,7,8‐TCDD) has been studied, using a simple Huckel Molecular Orbital (HMO) theory. Bond orders are calculated for the ground state molecular configuration of 2,3,7,8‐TCDD, and the values used to predict the experimentally observed photodegradation products of 2,3,7,8‐TCDD. It is observed that all the photolysis products characterized by gas chromato‐graphy/mass spectrometry (GC/MS), and supporting the postulated 2,3,7,8‐TCDD degradation scheme1 could be predicted by such HMO calculations.
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