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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 110, 2012 - Issue 19-20: Special Issue in Honour of Peter R. Taylor
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Invited Articles

Molecular structure of a gold β-octakis(trifluoromethyl)-meso-triarylcorrole: an 85° difference in saddling dihedral relative to copper

Kolle E. Thomas Department of Chemistry and Center for Theoretical and Computational Chemistry, University of Tromsø, 9037 Tromsø, Norway
,
Christine M. Beavers Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720-8229, USA
&
Abhik Ghosh Department of Chemistry and Center for Theoretical and Computational Chemistry, University of Tromsø, 9037 Tromsø, NorwayCorrespondence[email protected]
Pages 2439-2444 | Received 08 Mar 2012, Accepted 18 Apr 2012, Published online: 04 Oct 2012
 
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Abstract

Copper corroles exhibit inherent saddling, driven by ligand non-innocence, which may be viewed as a form of multideterminantal character. The saddling is enhanced by sterically hindered peripheral substituents. The sterically hindered complex Cu[(CF3)8T(pFP)C] (wherein the ligand is β-octakis(trifluoromethyl)-meso-tris(p-fluorophenyl)corrolato) is thus exceedingly saddled with adjacent pyrrole rings nearly orthogonal to one another. By contrast, Au[(CF3)8T(pFP)C] has a nearly planar corrole macrocycle, implying an innocent corrole ligand.

Acknowledgement

This work was supported by the Research Council of Norway.

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