Corroles have unique photophysical properties and widely utilized in the field of catalysis, sensing, photodynamic therapy (PDT) and solar cells [1]. Copper corroles [2] with the combination of X-ray crystallography and DFT calculations have suggested their inherently saddled structure which is due to antiferromagnetically coupled CuII corrole radical cation as their ground state. There is a significant overlap between the Cu dx2-y2 orbital and the corrole ligand. Herein, we have synthesized copper β-octabromo-meso-tris(4-nitrophenyl)corrole i.e. Br8CuTNPC. Further, it was subjected to Pd catalyzed Suzuki and Stille coupling reactions yielded Ph8CuTNPC and PE8CuTNPC (Fig. 1). The new corroles were characterized by UV-Vis, NMR, MALDI-TOF MS, Single crystal XRD as well as DFT calculations. Ph8CuTNPC is inherently saddled with unexpected high dihedral angle as shown in its single crystal X-ray structure [3]. While, PE8CuTNPC exhibits delocalization of π-electrons with PE groups that leads to large red shift in UV-Vis spectrum and paramagnetic behaviour due to failure of antiferromagnetic coupling between Cu(II) and corrole radical anion. Even upon oxidizing PE8CuTNPC, unprecedented the persistence of radical on corrole ligand while copper got oxidized as confirmed by EPR signal of free radical at g = 2.003 while Cu(II) signal vanished.

Effect of β-Substituents on the Electronic Properties of Copper Corroles

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27th CRSI National Symposium in Chemistry

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