接受者
荧光
分子
合理设计
材料科学
光化学
二面角
电子供体
化学
化学物理
纳米技术
物理
光学
有机化学
氢键
凝聚态物理
催化作用
作者
Chao Zheng,Jixin Deng,Yuanyuan Qi,Chaoyang Sun,Dongyue Cui,Cailin Chen,Chenxi Zhu,Shuang Wang,Jie Yuan,Gaozhan Xie,Ping Li,Runfeng Chen
标识
DOI:10.1021/acs.jpclett.3c03068
摘要
Donor-acceptor (D-A) molecules have drawn massive attention recently in the design of high-performance materials, but the underlying reasons for the magic abilities of D-A architecture in building very different organic semiconductors are still unclear. Here, based on a series of experimentally bipolar host and thermally activated delayed fluorescence (TADF) molecules with the same donor but different acceptor units, it was found that TADF emitters have more effective charge transfer between donor and acceptor units than bipolar host molecules. More efficient conjugation effects between the donor and acceptor units of host materials were identified from the lower dihedral angles of the D-A structure, smaller and even negative charge transfer amount, shorter charge-transfer length, and larger hole-electron overlap extent. These findings with in-depth insights into different interaction models of donor and acceptor units shed important light on the molecular design of TADF emitters and bipolar materials in a D-A architecture.
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