CPL calculations of [7]helicenes with alleged exceptional emission dissymmetry values
Ciro A. Guido, Francesco Zinna, Gennaro Pescitelli
Abstract
Probing the Chiroptical Enigma : compelling evidence calling for a re-evaluation of experimental g lum values of two 1,1′-bitriphenylene-based [7]helicenes is obtained by TD-DFT simulations with advanced state-specific solvation effects.
Topics & Concepts
SolvationMaterials scienceComputational chemistryTheoretical physicsStatistical physicsAtomic physicsThermodynamicsPhysicsQuantum mechanicsChemistryMoleculeSynthesis and Properties of Aromatic CompoundsMolecular spectroscopy and chiralityPhotoreceptor and optogenetics research