Structural and solvent effects on the mechanism of the thermal decarboxylation of 2-oxetanones. A limiting case between concerted and stepwise pathways in …

I Morao, B Lecea, A Arrieta…

Index: Arrieta, Ana; Palomo, Claudio Bulletin de la Societe Chimique de France, 1982 , vol. 2, # 1-2 p. 7 - 11

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Citation Number: 31

Abstract

The thermal decarboxylation of 2-oxetanones (β-lactones) to yield alkenes has been studied using ab initio SCF-MO computational methods. Solvent effects have also been taken into account. The reaction is predicted to be concerted in the gas phase, the corresponding