Diazadiboraacenes: Synthesis, Spectroscopy and Computations
Loading...
Date
Advisors/Reviewers
Further Contributors
Contributing Institutions
Publisher
Journal Title
Journal ISSN
Volume Title
Publisher
Quotable link
DOI:
http://dx.doi.org/10.22029/jlupub-18124Abstract
The incorporation of heteroatoms into hydrocarbon compounds greatly expands the chemical space of molecular materials. In this context, B−N doping takes a center stage due to its isosterism with a C=C-bond. Herein, we present a new and modular synthetic concept to access novel diazadiborabenzo[b]triphenylenes 7 a–h using the B−N doped biradical 16 as intermediate. Characterization of the photophysical properties revealed the emission spectra of the diazadibora benzo[b]triphenylenes 7 a–h can conveniently be tuned by small changes of the substitution on the boron-atom. All of the diazadibora compounds show a short life-time phosphorescence. Additionally, we were able to rationalize the excited-state relaxation of the diazadiboraacene 7 a via intersystem crossing by quantum chemical calculations. The new synthetic strategy provides an elegant route to various novel B−N doped acenes with great potential for applications in molecular materials.Link to publications or other datasets
Description
Notes
Original publication in
Angewandte Chemie. International edition 62 (2023), e202300785