摘要： Four new donor-acceptor compounds were designed, synthesized and investigated by theoretical and experimental approaches aiming to estimate effect of the structure of a donor on the properties of potential OLED emitters. Because of the different electron-donating abilities of the nitrogen-containing heterocycles, derivatives of xanthenone containing di-tert-butyl-carbazolyl, di-tert-butyl-acridanyl, di-tert-butyl-phenothiazinyl and penoxazinyl moieties exhibited different photophysical behavior. Because of big dihedral angles between the donors and acceptor as well as because of possibility of rotation around N-C bond, the designed compounds were characterized by thermally activated delayed fluorescence and aggregation induced emission enhancement effect. Twice higher photoluminesce quantum yields reaching 38% in doped films were obtained for compounds containing di-tert-butyl-carbazolyl and di-tert-butyl-acridanyl moieties as compared to those observed for compounds with the donors containing S and O heteroatoms. Strong effect of the donor substituents on charge injection (ionization potentials were in the range of 5.67-5.96 eV) and charge-transporting properties (hole and electron mobilities were in a wide range from 6.3×10-8 to 6.3×10-4 cm2V-1s-1 at electric field of 2.5×105 V·cm-1) was detected. The differently substituted compounds were utilized as emitters in OLEDs. Higher maximum values of external quantum efficiency (up to 3.5%) were observed for OLEDs based on emitters with nitrogen containing donors relative to estimated for OLEDs based on emitters containing di-tert-butyl-phenothiazinyl and penoxazinyl moieties.