磷光
光致发光
密度泛函理论
材料科学
Crystal(编程语言)
光化学
晶体工程
青色
氢键
分子
荧光
光电子学
化学
计算化学
光学
有机化学
物理
程序设计语言
计算机科学
作者
Xiao‐Gang Yang,Wenjing Qin,Ji‐Rui Zhang,Xu‐Ke Tian,Xin Fan,Lu‐Fang Ma,Dongpeng Yan
标识
DOI:10.3389/fchem.2021.765374
摘要
The development of molecular crystalline materials with efficient room-temperature phosphorescence has been obtained much attention due to their fascinating photophysical properties and potential applications in the fields of data storage, bioimaging and photodynamic therapy. Herein, a new co-crystal complex [(DCPA) (AD)2] (DCPA = 9,10-di (4-carboxyphenyl)anthracene; AD = acridine) has been synthesized by a facile solvothermal process. Crystal structure analysis reveals that the co-crystal possesses orderly and alternant arrangement of DCPA donors and AD acceptors at molecular level. Fixed by strong hydrogen bonds, the DCPA molecule displays seriously twisty spatial conformation. Density functional theory (DFT) calculations show well separation of HOMO and LUMO for this co-crystal system, suggesting the efficient triplet excitons generation. Photoluminescence measurements show intensive cyan fluorescence (58.20 ns) and direct white phosphorescence (325 µs) emission at room-temperature. The transient current density-time curve reveals a typical switching electric response under the irradiation of simulated light, reveal that the [(DCPA) (AD)2] co-crystal has a high photoelectric response performance.
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