Studies on the structure of N-protonated porphyrin. Part II. The effects of the substituting groups m-(p-carboxylatophenyl) and m-(p-nitrophenyl)

Add time:07/14/2019    Source:sciencedirect.com

On the basis of the N-protonated structure study of tetraphenylporphyrin, the changes of the geometries and properties of meso-tetrakis(p-carboxylatophenyl)porphyrin and meso-tetrakis(p-nitrophenyl)porphyrin in the protonation process were calculated by using AM1 MO method and symmetry restriction. The results show that the m-(p-carboxylatophenyl) and m-(p-nitrophenyl) have notable substituting group effects; both have opposite change trends relative to m-phenyl in some configuration and property parameters that provide valuable information on the aggregate selectivity in the DNA helix.

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