New Light on an Old Story: Breaking Kasha’s Rule in Phosphorescence Mechanism of Organic Boron Compounds and Molecule Design
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DOI: 10.3390/ijms23020876
Abstract: In this work, the phosphorescence mechanism of (E)-3-(((4-nitrophenyl)imino)methyl)-2H-thiochroman-4-olate-BF2 compound (S-BF2) is investigated theoretically. The phosphorescence of S-BF2 has been reassigned to the second triplet state (T2) by the density matrix renormalization group (DMRG) method combined… read more here.
Keywords: kasha rule; bf2; phosphorescence; phosphorescence mechanism ... See more keywords