文献类型：期刊文献

英文题名：Synthesis, Structure, and Properties of Monodispersed and Highly Luminescent Organoborane Oligomers

作者：Zhang, Yumei[1];Zhang, Xinnan[1];Yan, Qifan[1]

机构：[1]East China Univ Sci & Technol, Key Lab Adv Mat & Feringa Nobel Prize Scientist Jo, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China

年份：2023

卷号：88

期号：15

起止页码：10609

外文期刊名：JOURNAL OF ORGANIC CHEMISTRY

收录：;EI(收录号：20233214485111);WOS:【SCI-EXPANDED(收录号:WOS:001032146700001)】；

基金：The work is financially supported by the National Natural Science Foundation of China (no. 21602061) and the Fundamental Research Funds for the Central Universities (no. 222201717003). We thank Cheng Chen of Nankai University for DFT calculations.

语种：英文

外文关键词：Density functional theory - Fluorescence - Molecular structure - Molecules - Optical data processing - Quantum efficiency - Single crystals

摘要：Organoborane oligomers with well-defined molecular structuresandhigh luminescence are scarce, among which those with boron not usedas bridging atoms are even more so. Here, a series of well-definedethynyl-linked or butadiynyl-linked conjugated organoborane oligomerswith high fluorescence quantum yield and extinction coefficient (i.e.,high brightness) were prepared by coupling different building blocksfeaturing dithienooxadiborepine moieties. Single crystal structuresof hexyl modified dithienooxadiborepine (1a-hex) andhexyl-modified butadiynyl-linked conjugated dimer (D2-hex) not only verified the identity of the molecular structures butalso revealed that the introduction of the hexyl chains distortedthe molecular structures due to steric hindrance. Optical measurementsshowed that the absorption and emission maxima of the six oligomericmolecules bathochromic shifted with increasing numbers of repeatingunits. Molecules without hexyl chains emit efficient fluorescenceupon photoexcitation, and the fluorescence quantum efficiency of theethynyl-linked conjugated dimer (D1) is close to unity.Theoretical calculation results using density functional theory methodsare consistent with the single crystal data, allowing a better understandingof the spectral properties. Such results indicate that the methodis efficient for expanding small organoborane molecules into & pi;-conjugatedoligomers, which can be used to modulate to emit different colorswith high efficiency.