Abstract:A series of silicon (VI) porphyrins compounds with varying meso substitutions Si (TPP)Cl2 (where X=5,10,15,20-tetraphenylporphyrin), Si (TFP)Cl2 (X=5,10,15,20-tetrafluorenylporphyrin), Si (TQP)Cl2(X=5‚10‚15‚20-tetra (2,3,6,7-tetrahydro-1H,5H-benzo [ij] puinolizine) porphyrin),Si (TMP)Cl2(X=5,10,15,20-tetra (N,N-dimethylphenyl) porphyrin) have been investigated using density functional theory (DFT) to assess the influence of ruffled conformation on the electronic structures, frontier molecular orbital, charge c… Show more
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