Kukhta, Nadzeya A. published the artcileRevealing resonance effects and intramolecular dipole interactions in the positional isomers of benzonitrile-core thermally activated delayed fluorescence materials, Formula: C7H6N2, the main research area is dimethylacridin benzonitrile resonance dipole interaction fluorescence crystal structure.
We report on the properties of the three positional isomers of (2,7-di-tert-butyl-9,9-dimethylacridin-10(9H)-yl)benzonitrile, which are found to have comparable donor steric environments and donor-acceptor dihedral angles. An unexpected intramol. dipole interaction imparts a unique mol. geometry to the ortho-linked isomer, while comparison of the meta- and para-isomers uncovers how positional differences in acceptor strengths (a consequence of differences in aromatic π-system electron d.) lead to very different triplet harvesting and emission properties. These positional-isomer effects on TADF follow the well-known aromatic directing rules from organic synthesis, in keeping with their common origin arising from contributions of multiple electronic resonance structures. Understanding these positional effects and methods of dihedral control is critical to the future design of efficient TADF emitters.
Journal of Materials Chemistry C: Materials for Optical and Electronic Devices published new progress about Bond angle, dihedral. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Formula: C7H6N2.
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts