Abstract
The cation and anion radicals of symmetrical 1,2-disubstituted ethylenes are expected to have a symmetry-allowed conical intersection (CI) between the ground doublet state (D0) and the lowest excited doublet state (D1) near a 90°-twisted geometry. By the complete active space self-consistent field method, we characterized the hyperline formed by D1/D0 CIs between the anion radicals of maleic acid (cis) and fumaric acid (trans). An implication of the results for the known one-way cis→trans photoisomerization of the maleic acid anion radical and other related ion radicals is presented.
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