Designing potentially singlet fission materials with an anti-Kasha behaviour

R Pino-Rios, R Báez-Grez, DW Szczepanik… - Physical Chemistry …, 2024 - pubs.rsc.org
Singlet fission (SF) compounds offer a promising avenue for improving the performance of
solar cells. Using TD-DFT methods, anti-Kasha azulene derivatives that could carry out SF …

The Glidewell–Lloyd rule explains the local aromaticity and the relative stability of benzoborepin isomers

L Leyva-Parra, R Pino-Rios - New Journal of Chemistry, 2024 - pubs.rsc.org
We examine the aromaticity of four benzoborepin isomers using magnetic, geometric, and
delocalization criteria. We observe a trend in which the six-membered ring (6MR) exhibits …