化学
微型多孔材料
催化作用
二面角
位阻效应
聚合物
共轭微孔聚合物
共轭体系
分子内力
单体
电荷(物理)
组合化学
载流子
聚合
合理设计
化学机械平面化
光化学
化学工程
电场
化学物理
纳米技术
光催化
密度泛函理论
电荷密度
光电子学
Boosting(机器学习)
联苯
作者
Tianyu Long,Tao Gao,Guobin Chen,Han‐Han Kong,Qingqing Yang,Wenli Xu,Shangbin Xiao,Liqun Ye,Long Wang
摘要
Comprehensive Summary Minimizing energy dissipation during charge transfer is essential for constructing efficient photocatalysts. However, the inherent steric constraints within building blocks inevitably induce torsional distortions in the photocatalyst framework, thereby impeding efficient charge migration. To address this, catalyst ring expansion was proposed to enhance catalytic performance. Conjugated microporous polymers (CMPs) were synthesized using [2,2']‐bithiophene‐5,5'‐dicarbaldehyde (donor) and formyl positional isomers (1,3‐ or 1,4‐diacetylbenzene linkers). Structural characterization revealed that compared to m ‐SSCMP (1,3‐linker), p ‐SSCMP constructed with the 1,4‐linker exhibits an expanded cyclic architecture, increased intramolecular D‐A configurations and a reduced phenyl‐pyridine dihedral angle. These structural modifications significantly accelerated charge migration efficiency. As a result, the optimized catalysts facilitated efficient C(sp 3 )‐H phosphorylation reactions, offering a sustainable strategy for introducing phosphoryl groups into optoelectronic materials and bioactive molecules. Importantly, correlation between monomer structure and catalyst charge migration efficiency was established, providing molecular‐level insights for the design of polymeric photocatalysts.
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