Comparing molecular and electronic properties of perylene tetracarboxylic diimides decorated at 1,6- and 1,7-bay-positions using DFT/TDDFT method
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DOI: 10.1016/j.mtcomm.2021.102446
Abstract: Abstract Geometrical structures and singlet vertical excitations of perylene tetracarboxylic diimides decorated at 1,6- and 1,7-bay positions investigated using density functional theory and its time dependent formalism. Such compounds are attracting much attention in the… read more here.
Keywords: diimides decorated; decorated bay; tetracarboxylic diimides; perylene tetracarboxylic ... See more keywords