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具有供体-受体(DA)支撑官能团的有机光学双供体非线性光学发色团的微调

Fine-tuning of organic optical double-donor NLO chromophores with DA-supported functional groups.

作者信息

Rahman Abdul, Bo Shuhui, Ali Amjad, Zhang Lian, Alomer Suliman Yousef, Liu Fenggang

机构信息

Department of Polymer Science and Engineering, Zhejiang University Hangzhou 310027 China.

ZJU-Hangzhou Global Scientific and Technological Innovation Center Hangzhou 311215 China.

出版信息

RSC Adv. 2024 Apr 9;14(16):11350-11357. doi: 10.1039/d3ra08246f. eCollection 2024 Apr 3.

Abstract

New strategic chromophores with updated fine-tuning of previously reported BLD1 and BLD3 chromophores were designed. BLD1 and BLD3 have silicon functional groups on the donor unit, and the bridge has a good chance of self-assembling, so in the present study we fine-tuned the isolating groups to the bulky cyclic alkene to improve their dipole moment and organic electro-optic (OEO) properties as well. To demonstrate the impact of cyclic alkenes on the electron-donating groups in sensible NLO chromophore designs, a thorough analysis and comparison of the chromophore synthesis, UV-Vis calculations, solvatochromic behavior of the chromophore, DFT quantum mechanical calculations, thermal stabilities, and much lower dipole moments was conducted.

摘要

设计了具有更新微调的先前报道的BLD1和BLD3发色团的新型战略发色团。BLD1和BLD3在供体单元上具有硅官能团,并且桥接结构有很好的自组装机会,因此在本研究中,我们将隔离基团微调为庞大的环状烯烃,以改善其偶极矩以及有机电光(OEO)性质。为了证明环状烯烃在合理的非线性光学发色团设计中对供电子基团的影响,我们对发色团合成、紫外可见光谱计算、发色团的溶剂化显色行为、密度泛函理论(DFT)量子力学计算、热稳定性以及低得多的偶极矩进行了全面分析和比较。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4590/11002725/415678c6e18e/d3ra08246f-f1.jpg

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