Pnictogen-Bridged Diphenyl Sulfones as Photoinduced Pnictogen Bond Forming Emission Motifs.

Toshiki FujiiTakahiro KusukawaHiroaki ImotoKensuke Naka

Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2022)

In this study, pnictogen (Pn)-bridged diphenyl sulfones were synthesized as motifs for photoinduced dynamic rearrangement. The newly synthesized sulfones exhibited dual fluorescence at 298 K. Density functional theory calculations revealed that the longer-wavelength fluorescence was derived from the geometries after structural relaxation through photo-driven pnictogen bond formation between the O atom lone pair of the sulfonyl moiety and the antibonding orbital of the Pn-C bond. This is the first report on emission dynamics driven by pnictogen bond formation upon photoexcitation.

Keyphrases

density functional theory
electron transfer
molecular dynamics
single molecule
transition metal
molecular dynamics simulations
quantum dots