Wulan Zeng,Daiyao Yue,Xia Wang,Haiyun Li,Xiangjun Kong
A new spiro compound, C 14 H 13 N 3 O 6 (NHD) was prepared through the reaction of 6,10-dioxaspiro[4.5]decane-7,9‑dione with diazotized solution of 4-nitroaniline in ethanol. The structural characteristics of NHD were investigated using spectroscopy (FT-IR, UV-is and 1 H and 13 C NMR) and computational analysis utilizing B3LYP/6–311G(d,p) level. Theoretical and experimental results for optimizing molecular geometry, infrared vibrational frequencies, and UV–Vis spectra were found to be consistent. Hirshfeld surface analysis had been used to explain intermolecular interaction and π···π stacking interactions. 2D fingerprint studies confirmed that O···H/H···O contributions make up the greatest contributors (43.6 %) in NHD. Additionally, (HOMO-LUMO) energies, global reactivity properties, MEP and NBO were investigated at the same level. Finally, NHD is thermally stable up to 195 ℃ according to TG/DTA analysis.
Two host materials based on spiro[fluorene-9,8′-indolo[3,2,1- de ]acridine] derivatives were designed and synthesized by introducing the benzofuran/benzothiophene unit to the spiro [fluorene-9,8′-indolo[3,2,1- de ]acridine] unit. The two host materials exhibited high triplet energy level (> 2.65 eV) and the benzofuran-substituted derivative presented suitable glass transition temperature (> 130 °C). Their electrochemical and photo-physical properties were also determined. The green phosphorescent organic light-emitting diodes based on the two host materials obtained electroluminescence performances with external quantum efficiencies of 14.3 ± 0.1% and 11.9 ± 0.1%, respectively.
危险品化学品经营许可证（带存储）