Theoretical investigation of the structural and spectroscopic properties of expanded metalloporphyrin complexes
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DOI: 10.1098/rsos.181199
Abstract: The frontier molecular orbitals, UV–Vis absorption spectra, charge transfer (CT) and triplet excited states of 12 expanded D–A porphyrin/benzoporphyrin complexes were investigated using the density functional theory (DFT) method and time-dependent DFT in this work.… read more here.
Keywords: properties expanded; expanded metalloporphyrin; spectroscopic properties; theoretical investigation ... See more keywords