title: Luminescent zinc(II) complexes of fluorinated benzothiazol-2-yl substituted phenoxide and enolate ligands.
abstract: 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 ZnL(2) 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.
authors: Materials Research Institute, School of Biological and Chemical Sciences, Queen Mary University of London, Mile End Road, London, United Kingdom E1 4NS.
authors: Zhe
authors: Z
authors: Li
authors: Ahmed
authors: A
authors: Dellali
authors: Jahangir
authors: J
authors: Malik
authors: Majid
authors: M
authors: Motevalli
authors: Roger M
authors: RM
authors: Nix
authors: Toyin
authors: T
authors: Olukoya
authors: Yu
authors: Y
authors: Peng
authors: Huanqing
authors: H
authors: Ye
authors: William P
authors: WP
authors: Gillin
authors: Ignacio
authors: I
authors: Hernández
authors: Peter B
authors: PB
authors: Wyatt
mesh_terms: D000447:Aldehydes / Q000737:chemistry*; D052160:Benzothiazoles / Q000737:chemistry*; D008024:Ligands; D049449:Luminescence; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D010087:Oxides / Q000737:chemistry*; D011789:Quantum Theory; D015032:Zinc / Q000737:chemistry*
chemical_list: D000447:Aldehydes; D052160:Benzothiazoles; D008024:Ligands; D009942:Organometallic Compounds; D010087:Oxides; C005465:benzothiazole; D015032:Zinc