Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral properties
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DOI: 10.1007/s00894-019-4149-6
Abstract: Electronic and spectroscopic properties of tetracationic 5,10,15,20-tetrakis(1-methyl-4-pyridyl)-21H,23H-porphyrin (TMPyP) were investigated in the framework of the density functional theory (DFT). Modeling of implicit solvent, charge effects, and medium acidity were performed and compared with experimental results.… read more here.
Keywords: tetracationic porphyrin; porphyrin effects; vis spectra; porphyrin ... See more keywords