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Schlagwörter:
metalloporphyrins; Cu/Cr bimetallic porphyrin; self-doping; electron transfer; DFT computations; material science; catalysis
Zusammenfassung:
An approach for the possible production of novel bimetallic self-doped porphyrin-based compounds of potential interest in material science is reported. Heating Cu(II)tetraphenylporphyrin (TPPCu) with chromocene at 120°C in benzonitrile affords the crystalline multimetal porphyrin system TPPCu/TPPCr in good yield. The X-ray single crystal structural analysis reveals a random distribution of TPPCu and TPPCr, with a Cu:Cr ratio of 71(2):29(2)%. Exploratory DFT calculations of TPPCu/TPPCr indicate little if any electron transfer. In contrast, calculations of a hypothetical cationic TPPCu/TPPRu system indicates the possibility of self-doping.