[Porphyrins with different electron groups: spectral and DFT study].

UV-Vis absorption spectra and electrochemical properties of 5-(o-hydroxyphenyl)-10, 15, 20-tri-(p-phenyl)porphyrin (TPPOH) and 5-(o-hydroxyphenyl)-10, 15, 20-tri-(p-methoxyphenyl) porphyrin [(p-OCH3)TPPOH] with different electron groups were investigated by experiments and density functional theory (DFT). Due to the introduction of para-methoxyl group (-OCH3), obvious red shift of 3 nm in the maximum absorbance of the UV-Vis spectra, negative shift in redox potential of (p-OCH3)TPPOH, and the decrease (0.06 eV) in the energy gap (DE) of the frontier highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) (of (p-OCH3)TPPOH occurred as compared to those of TPPOH.