Stability of Odd- Versus Even-Electron Gas-Phase (Quasi)Molecular Ions Derived from Pyridine-Substituted N-Heterotriangulenes

Jakob F Hitzenberger; Pavlo O Dral; Ute Meinhardt; Timothy Clark; Walter Thiel; Milan Kivala; Thomas Drewello

doi:10.1002/cplu.201600596

Stability of Odd- Versus Even-Electron Gas-Phase (Quasi)Molecular Ions Derived from Pyridine-Substituted N-Heterotriangulenes

Chempluschem. 2017 Feb;82(2):163. doi: 10.1002/cplu.201600596. Epub 2016 Dec 20.

Authors

Jakob F Hitzenberger¹, Pavlo O Dral², Ute Meinhardt³, Timothy Clark⁴, Walter Thiel², Milan Kivala³, Thomas Drewello¹

Affiliations

¹ Physical Chemistry I, Department of Chemistry and Pharmacy, Friedrich-Alexander University Erlangen-Nürnberg (FAU), Egerlandstrasse 3, 91058, Erlangen, Germany.
² Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470, Mülheim an der Ruhr, Germany.
³ Organic Chemistry I, Department of Chemistry and Pharmacy, Friedrich-Alexander University Erlangen-Nürnberg (FAU), Henkestrasse 42, 91054, Erlangen, Germany.
⁴ Computer-Chemie-Centrum, Department of Chemistry and Pharmacy, Friedrich-Alexander University Erlangen-Nürnberg (FAU), Nägelbachstrasse 25, 91052, Erlangen, Germany.

PMID: 31961542
DOI: 10.1002/cplu.201600596

Abstract

Invited for this month's cover are the collaborating groups at the Friedrich-Alexander University Erlangen-Nürnberg (FAU), Germany and at the Max-Planck-Institut für Kohlenforschung, Germany. The cover picture shows the symbiosis of quantum chemical theory and gas-phase collision experiment investigating the influence of the electronic state on stability of the radical cation ([M]⁺ ^. ) and protonated triangulene ([M+H]⁺ ). The dissociation of the radical cation requires less energy due to the formation of an energetically favored extended aromatic π-system. Read the full text of the article at 10.1002/cplu.201600416.