title: Reversal of Orbital Symmetry Control in Electrocyclic Ring Closures through Craig-Möbius Aromaticity.
abstract: Experimentalists are challenged to find the organometallic thermal electrocyclizations that are computationally predicted to proceed with opposite stereoselectivity compared to their metal-free parent 4n and 4n+2 π-electron systems. While ring closure of, for example, s-cis-butadiene proceeds conrotatory, an iron alkyl complex formed by replacement of a (CH) unit by an [FeH] metal fragment results in a disrotatory electrocyclization.
authors.affiliation: Department of Chemistry and Pharmacy, Institute of Theoretical Chemistry, Computer Chemistry Center, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Nägelsbachstrasse 25a, 91052, Erlangen, Germany. michael.mauksch@fau.de.
authors.forename: Michael
authors.initials: M
authors.lastname: Mauksch
authors.affiliation: Department of Chemistry and Pharmacy, Organic Chemistry Chair I and Interdisciplinary Center for Molecular Materials (ICMM), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Henkestrasse 42, 91054, Erlangen, Germany. svetlana.tsogoeva@fau.de.
authors.forename: Svetlana B
authors.initials: SB
authors.lastname: Tsogoeva
keywords: Möbius aromaticity; electrocyclic reactions; orbital symmetry; organometallic compounds; stereoselectivity