文献类型：期刊文献

英文题名：Rigid-and-Flexible Molecular Bows With High NIR Photothermal Performance

作者：Zou, Xiaoqi[1];Jin, Xin[1];Hu, Shunlong[1];Wang, Ming-Wei[2];Liu, Guogang[1];Wang, Zhaohui[1,2]

机构：[1]East China Univ Sci & Technol, Feringa Nobel Prize Scientist Joint Res Ctr, Frontiers Sci Ctr Materiobiol & Dynam Chem, Inst Fine Chem,Sch Chem & Mol Engn,Key Lab Adv Mat, Shanghai, Peoples R China;[2]Tsinghua Univ, Dept Chem, Key Lab Organ Optoelect & Mol Engn, Beijing, Peoples R China

年份：2026

外文期刊名：ADVANCED OPTICAL MATERIALS

收录：;EI(收录号：20263121227198);Scopus(收录号：2-s2.0-105046275275);WOS:【SCI-EXPANDED(收录号:WOS:001837044100001)】；

基金：The National Natural Science Foundation of China (NSFC) (grant Nos. 22350005, 22235005, 22401094) and the Natural Science Foundation of Shanghai (No. 24ZR1416100).

语种：英文

外文关键词：molecular bow; NIR; photothermal performance; rigid-and-flexible; rylene diimides

摘要：Ideal near-infrared organic small molecules (NIR-OSMs) should possess high molar extinction coefficients (epsilon) and photothermal conversion efficiency (PTCE) to achieve desirable photothermal effects at low doses. However, existing NIR-OSMs rarely combine both properties, resulting in low photothermal performance (epsilon & times; PTCE). Herein, we propose a "rigid-and-flexible" molecular design strategy: bridging the two ends of a high-epsilon rigid pi-conjugated molecule (quaterrylene diimides, QDI) with flexible alkyl chains bends the molecule, thereby imparting high PTCE. Experimental results demonstrate that bending significantly reduces the fluorescence quantum yield and lifetime, increasing the nonradiative decay rate by nearly one order of magnitude. Simultaneously, bending greatly weakens intermolecular pi-pi interactions, leading to a loose packing mode favorable for photothermal conversion. More importantly, adjusting the bending curvature allows precise tuning of the maximum absorption wavelength within the range of 780-825 nm to match the 808 nm laser. Leveraging these advantages, QDI[10] nanoparticles exhibit the highest PTCE of 77.4%, while QDI[12] nanoparticles achieve a record-high photothermal performance of 93,400 M- 1 cm- 1 at 808 nm. This strategy can be extended to other rigid pi-conjugated systems with high epsilon but low PTCE, promoting the development of efficient photothermal therapy using NIR-OSMs.