1418196-16-3Relevant academic research and scientific papers
Luminescent zinc(II) complexes of fluorinated benzothiazol-2-yl substituted phenoxide and enolate ligands
Li, Zhe,Dellali, Ahmed,Malik, Jahangir,Motevalli, Majid,Nix, Roger M.,Olukoya, Toyin,Peng, Yu,Ye, Huanqing,Gillin, William P.,Hernández, Ignacio,Wyatt, Peter B.
, p. 1379 - 1387 (2013/03/29)
Zn(II) complexes of the following new, fluorine-containing, benzothiazole-derived ligands have been synthesized and characterized crystallographically: 2-(3,3,3-trifluoro-2-oxopropyl)benzothiazole (3), 4,5,6,7-tetrafluoro-2-(3,3,3-trifluoro-2-oxopropyl)benzothiazole (4), 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)benzothiazole (12), 2-(3,4,5,6- tetrafluoro-2-hydroxyphenyl)-4,5,6,7-tetrafluorobenzothiazole (13), and 2-(3,4,5,6-tetrafluoro-2-hydroxyphenyl)benzothiazole (16); the Cu(II) complex of ligand 4 is also reported. These are analogs of the important photo- and electroluminescent material [Zn(BTZ)2]2, where H-BTZ = 2-(2-hydroxyphenyl)benzothiazole. DFT calculations indicate that HOMO and LUMO energy levels in these materials are substantially lowered by fluorination. The fluorinated ZnL2 complexes are mononuclear (in contrast to the dinuclear, nonfluorinated material [Zn(BTZ)2]2). They easily sublime and show broad visible photoluminescence. A common crystallographic feature is the existence of pairs of fluorinated ZnL 2 molecules related by inversion centers, with their π systems facing one another.
