Conrotatory ring-opening reactions of cyclopropyl anions in monocyclic and tricyclic systems. Faza, O., López, C., Álvarez, R., & De Lera, Á. Organic Letters, 6(6):901-904, 2004. doi abstract bibtex (Equation presented) Only conrotatory transition structures were located by B3LYP6-311++G(3df, 2p) computations for the electrocyclic ring opening of cyclopropyl anions having different substituents (H, Me, CN). The transition structure for the similarly substituted cyclopropyl anion fused to a bicyclic system exhibits the same features, in apparent contradiction with the observed product. A reaction path where the direction of twist changes after the transition state provides an explanation alternative to those proposed in recent reports.
@ARTICLE{Faza2004901,
author={Faza, O.N. and López, C.S. and Álvarez, R. and De Lera, Á.R.},
title={Conrotatory ring-opening reactions of cyclopropyl anions in monocyclic and tricyclic systems},
journal={Organic Letters},
year={2004},
volume={6},
number={6},
pages={901-904},
doi={10.1021/ol036448x},
abstract={(Equation presented) Only conrotatory transition structures were located by B3LYP6-311++G(3df, 2p) computations for the electrocyclic ring opening of cyclopropyl anions having different substituents (H, Me, CN). The transition structure for the similarly substituted cyclopropyl anion fused to a bicyclic system exhibits the same features, in apparent contradiction with the observed product. A reaction path where the direction of twist changes after the transition state provides an explanation alternative to those proposed in recent reports.},
}
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