Bowing to the Pressure of [pi][pi] Interactions: Bending of Phenyl Rings in a Palladium(II) Thioether Crown Complex

Bowing to the Pressure of [pi][pi] Interactions: Bending of Phenyl Rings in a Palladium(II) Thioether Crown Complex

Compression of a parallel four-fold phenyl embrace involving two cations in [Pd([9]aneS3 )(PPh3 )2 ](PF6 )2 ([9]aneS3 =1,4,7-trithiacyclononane) leads to ππ stacking interactions and concomitant pyramidalization at the ipso carbon atom of one of the phenyl rings. These pressure-induced transformatio...

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Veröffentlicht in:Angewandte Chemie International Edition 2013-05, Vol.52 (19), p.5093
Hauptverfasser: Wong, Henry L. S, Allan, David R, Champness, Neil R, McMaster, Jonathan, Schröder, Martin, Blake, Alexander J
Format: Artikel
Sprache:eng
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Zusammenfassung:Compression of a parallel four-fold phenyl embrace involving two cations in [Pd([9]aneS3 )(PPh3 )2 ](PF6 )2 ([9]aneS3 =1,4,7-trithiacyclononane) leads to ππ stacking interactions and concomitant pyramidalization at the ipso carbon atom of one of the phenyl rings. These pressure-induced transformations have been rationalized by Hirshfeld surface analysis, density functional calculations and natural bond orbital analysis.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201209845