The potential surfaces for the 2E″ state of planar cyclopropenyl and the 1E′ state of planar cyclopropenyl anion are examined using full pi-space configuration interaction within an STO-3G basis. Both states are subject to first order Jahn–Teller distortions of the bond lengths. Small second order effects slightly favor the ethylenic form of the radical. Much larger second order effects strongly favor the allylic form of the anion.
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Davidson et al. (1977) studied this question.
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