Aggregation controlled photoluminescence of hexaazatri-naphthylene (HATN) – an experimental and theoretical study

Photophysics of hexaazatrinaphthylene (HATN) in solution and in the solid state is determined by the nπ* character of its lowest excited singlet state and by the ππ* character of the first triplet state, and changes upon aggregation.

Bond formation dynamics of dicyanoaurate in the first excited singlet state

Time-resolved fluorescence of [Au(CN)2−]3 in water reveals a coherent vibration of 74 cm-1. A massive non-Condon effect, proved unambiguously by time-resolved fluorescence spectra, demonstrates that the wave packet motion arises from the coherent bond formation.

Excited state C–N bond dissociation and cyclization of tri-aryl amine-based OLED materials: a theoretical investigation

Chemical degradation of TAA occurs through the conical intersection present between ground and first excited singlet state with C–N bond dissociation, which channels the excited molecules to dissociate and form radical fragments or cyclized products.

Ab initio insights into the mechanism of excited-state intramolecular proton transfer triggered by the second excited singlet state of a fluorescent dye: an anti-Kasha behavior

An excited-state intramolecular proton transfer (ESIPT) reaction triggered by the second excited singlet S2 state is found by ab initio calculations to be an ultrafast process for a novel fluorophore.