title: Barrierless Single-Electron-Induced cis-trans Isomerization.
abstract: Lowering the activation energy of a chemical reaction is an essential part in controlling chemical reactions. By attaching a single electron, a barrierless path for the cis-trans isomerization of maleonitrile on the anionic surface is formed. The anionic activation can be applied in both reaction directions, yielding the desired isomer. We identify the microscopic mechanism that leads to the formation of the barrierless route for the electron-induced isomerization. The generalization to other chemical reactions is discussed.
authors.affiliation: Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg (Germany). shachar.klaiman@pci.uni-heidelberg.de.
authors.forename: Shachar
authors.initials: S
authors.lastname: Klaiman
authors.affiliation: Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg (Germany).
authors.forename: Lorenz S
authors.initials: LS
authors.lastname: Cederbaum
keywords: anions; cis-trans isomerization; electron-driven reactions; excited states; nitriles