Journal
INORGANIC CHEMISTRY
Volume 50, Issue 8, Pages 3247-3251Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ic1017032
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Funding
- Research Council of Norway
- National Research Foundation of the Republic of South Africa
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X-ray structures of Co-III[(CF3)(3)Cor](PPh3) [(CF3)(3)Cor = meso-tris(trifluoromethyl)corrolato] and Cu[(CF3)(4)Por] [(CF3)(4)Por = meso-tetralcis(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.
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