Structure, charge-transfer and luminescent properties of bis(2-(2-hydroxyphenyl)benzothiazolate)beryllium

A luminescent Be(II) complex of aromatic N, O-chelate ligand, namely Be(BTZ)2 (BTZ = 2-(2-hydroxyphenyl)benzothiazolate), has been synthesized and characterized by X-ray crystallography. Its charge-transfer and luminescent properties were studied. The results indicated that the single crystal of Be(BTZ)2 is monoclinic, space group C2/c. With larger the electron-transfer rate than hole-transfer rate, Be(BTZ)2 may serve as candidate for electron-transport material. The highest occupied molecular orbital energy level (EHOMO) and the lowest unoccupied molecular orbital energy level (ELUMO) are −5.79 eV and −2.98 eV, respectively. Be(BTZ)2displays strong photoluminescence (PL) in the blue region at 456 nm, and the electroluminescent (EL) peak wavelength is located at 460 nm, CIE coordinates are X = 0.1525, Y = 0.1803.