Decomposition Mechanism of 1,2-Dioxetane
Open Access
- 1 December 1974
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 52 (23) , 3837-3843
- https://doi.org/10.1139/v74-574
Abstract
An orbital correlation diagram was constructed for the thermal decomposition of 1,2-dioxetane into products that allow chemiluminescence. A decomposition mechanism is proposed that gives a temperature dependent rupture of the OO bond, thus allowing ring twisting which is followed by the rupture of the CC bond. This mechanism is consistent with results of the thermochemical analysis for this type of reaction. The equilibrium structure of 1,2-dioxetane was determined from the molecular orbital calculations and gave a planar configuration for the COOC ring.Keywords
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