Corroles cannot ruffle.
Kolle E Thomas, Jeanet Conradie, Lars Kristian Hansen, Abhik Ghosh
Department of Chemistry and Center for Theoretical and Computational Chemistry, University of Tromsø, 9037 Tromsø, Norway.
Inorganic chemistry 2011 Apr 18X-ray structures of Co(III)[(CF(3))(3)Cor](PPh(3)) [(CF(3))(3)Cor = meso-tris(trifluoromethyl)corrolato] and Cu[(CF(3))(4)Por] [(CF(3))(4)Por = meso-tetrakis(trifluoromethyl)porphyrinato] revealed planar and highly ruffled macrocycle conformations, respectively, in line with analogous observations for a handful of other meso-perfluoroalkylated porphyrins and corroles reported in the literature. To gain insights into the difference in conformational behavior, we evaluated DFT (BP86-D/TZP) ruffling potentials for a variety of corrole complexes, as well as their porphyrin analogues. The calculations led us to conclude that corrole derivatives, in essence, cannot ruffle.
Citation
Kolle E Thomas, Jeanet Conradie, Lars Kristian Hansen, Abhik Ghosh. Corroles cannot ruffle. Inorganic chemistry. 2011 Apr 18;50(8):3247-51
PMID: 21366225
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