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

DOI: 10.1002/anie.201209845 DOI Help
PMID: 23568573 PMID Help

Authors: Henry L.s. Wong (The University of Nottingham) , David R. Allan (Diamond Light Source) , Neil R. Champness (The University of Nottingham) , Martin Schröder (The University of Nottingham) , Alexander J. Blake (University of Nottingham)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Angewandte Chemie International Edition

State: Published (Approved)
Published: April 2013
Diamond Proposal Number(s): 1216

Abstract: 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 π⋅⋅⋅π 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

Journal Keywords: High Pressure; Structure Deformation; Crystallography

Subject Areas: Chemistry

Instruments: I19-Small Molecule Single Crystal Diffraction

Other Facilities: No

Added On: 15/03/2013 09:30

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