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.
I. Iwakura, H. Ebina, K. Komori-Orisaku and Y. Koide, Dalton Trans., 2014, 43, 12824 DOI: 10.1039/C4DT01121J
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