Achieving the blue-light-emitting materials for benzothiazolate Zn(II) complexes by introducing different functional groups

作者：Xu Huixia^*; Wang Hua; Yue Yan; Chen Liuqing; Hao Yuying; Xu Bingshe

来源：Synthetic Metals, 2012, 162(9-10): 775-780.

DOI：10.1016/j.synthmet.2012.02.029

• Blue-light-emitting material
• DFT
• Molecular structure
• Inductive effect

A series of blue-light-emitting bis(2-(4-R-2-hydroxyphenyl)benzothiazolate)zinc [Zn(4-RBTZ)(2)] [R=OCH3, 4a; CH3, 4b; CF3, 4c; F, 4d] complexes were synthesized and investigated by optical spectroscopy, electrochemistry as well as density functional theory (DFT). On this basis, the influences of substituents at the same position on molecular structures and optical properties were discussed. The X-ray single-crystal diffractions reveal that complexes of 4a and 4b exhibit monomer structures with a distorted tetrahedral: while complex 4c with trigonal bipyramidal geometry has the special dimeric structure. A gradual increasing red-shift order in emission peak is 4a < 4d < 4b < 4c = [Zn(BTZ)(2))(2). The substituents change the distributions of HOMO and LUMO and resulting complexes have the distinct blue-shift relative to [Zn(BTZ)(2)](2). These complexes were shown to be the potential blue-emitting materials.

• 出版日期2012-6
• 单位太原理工大学