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ABSTRACT:
SUBMITTER: Weddeling JH
PROVIDER: S-EPMC7756350 | biostudies-literature | 2020 Dec
REPOSITORIES: biostudies-literature
Chemistry (Weinheim an der Bergstrasse, Germany) 20201023 68
Several ethylenedioxy-bridged bisarenes with a variety of type and number of aryl groups were synthesized to study non-covalent dispersion-driven inter- and intramolecular aryl-aryl interactions in the solid state and gas phase. Intramolecular interactions are preferably found in the gas phase. DFT calculations with and without dispersion correction show larger interacting aromatic groups increase the stabilization energy of folded conformers and decrease the intermolecular centroid-centroid dis ...[more]