Luminescent Zinc(II) Complexes of Fluorinated Benzothiazol-2-yl Substituted Phenoxide and Enolate Ligands

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• 作者：Zhe Li ; Ahmed Dellali ; Jahangir Malik ; Majid Motevalli ; Roger M. Nix ; Toyin Olukoya ; Yu Peng ; Huanqing Ye ; William P. Gillin ; Ignacio Hern谩ndez ; Peter B. Wyatt
• 刊名：Inorganic Chemistry
• 出版年：2013
• 出版时间：February 4, 2013
• 年：2013
• 卷：52
• 期：3
• 页码：1379-1387
• 全文大小：532K
• 年卷期：v.52,no.3(February 4, 2013)
• ISSN：1520-510X

文摘

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 ZnL₂ molecules related by inversion centers, with their 蟺 systems facing one another.