A theoretical and experimental study on meridional-facial isomerization of tris(quinolin-8-olate)aluminum (Alq3).

The rationale behind the stereospecific synthesis of a facial isomer of tris(quinolin-8-olate)aluminum (Alq3) is studied by density functional theory (DFT) calculations, which predict the favourable influence of an H3O(+) ion on the distribution ratio between a meridional and a thermodynamically unstable facial isomer.