Physical Chemistry Department, Faculty of Chemistry, Warsaw University of Technology , Noakowskiego 3, 00-664 Warsaw, Poland.
Inorg Chem. 2013 Oct 7;52(19):10846-59. doi: 10.1021/ic400729t. Epub 2013 Sep 26.
A one-pot protocol has been developed to obtain a series of luminescent heteroleptic diarylborinic complexes bearing the 2-fluoro-3-pyridyl and another aryl group attached to the boron atom chelated with a simple or functionalized 8-oxyquinolinato ligand. The tetrahedral geometry around the boron atom in all compounds has been established by the (11)B NMR spectroscopy and/or X-ray diffraction technique. In the solution, the obtained complexes have emission maxima ranging from 502 to 525 nm at room temperature. The quantum yield of emission significantly depends on the type and position of the substituents in the 8-oxyquinolinato ligands and aryl rings. An interpretation of the experimental UV-vis absorption and emission spectral data is supported by theoretical calculations of the frontier molecular orbitals. Marcus theory was used to theoretically evaluate charge-transport properties of the obtained complexes.
已经开发出一种一锅法协议,以获得一系列发光杂芳基二芳基硼配合物,这些配合物带有 2-氟-3-吡啶基和另一个芳基,该芳基连接到硼原子上,与简单或功能化的 8-氧代喹啉酸配体螯合。通过(11)B NMR 光谱和/或 X 射线衍射技术确定了所有化合物中硼原子周围的四面体几何形状。在溶液中,所得配合物在室温下的发射最大值从 502nm 到 525nm 不等。发射量子产率显著取决于 8-氧代喹啉酸配体和芳环中取代基的类型和位置。通过对前沿分子轨道的理论计算,对实验的 UV-vis 吸收和发射光谱数据进行了解释。使用 Marcus 理论对所得配合物的电荷输运性质进行了理论评估。