Dispersion-driven conformational isomerism in σ-bonded dimers of larger acenes

Angew Chem Int Ed Engl. 2013 Oct 4;52(41):10892-5. doi: 10.1002/anie.201304674. Epub 2013 Aug 23.

Authors

Stephan Ehrlich¹, Holger F Bettinger, Stefan Grimme

Affiliation

¹ Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie der Universität Bonn, Beringstrasse 4, 53115 Bonn (Germany).

PMID: 24039012
DOI: 10.1002/anie.201304674

No abstract available

Keywords: London dispersion interactions; ab initio calculations; acene dimers; density functional calculations; π stacking.