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Inducing molecular isomerization assisted by water
Communications Chemistry ( IF 5.9 ) Pub Date : 2019-10-17 , DOI: 10.1038/s42004-019-0221-5
Dongsheng Wang , Lei Zhao , Haiquan Zhao , Jiazun Wu , Manfred Wagner , Wen Sun , Xiaodong Liu , Mao-sheng Miao , Yonghao Zheng

Light is not the only stimulus that can induce linear-to-cyclic isomerization of donor-acceptor Stenhouse adducts (DASAs). Here we demonstrate the water-induced linear-to-cyclic isomerization of DASAs. The mechanism of the water-induced linear-to-cyclic isomerization of DASAs is investigated by density functional theory (DFT) calculations. Water molecules coordinate with DASAs and stabilize the intermediates and cyclic isomers, which favors cyclization thermodynamically. Moreover, the linear-to-cyclic isomerization is reversible. Heating removes the coordinated H2O molecules, which further triggers cyclic-to-linear isomerization. DASAs have been applied in information hiding/displaying and color switching under water vapor and heating control.



中文翻译:

水辅助诱导分子异构化

光不是可诱导的唯一刺激线性-到-环状施主-受主斯腾豪斯加合物(DASAs)的异构化。在这里,我们展示了水引起的线性至-循环DASAs的异构化。水诱导的机制线性-到-环状DASAs的异构化是通过密度泛函理论研究(DFT)计算。水分子与DASA配位并稳定中间体和环状异构体,这在热力学上有利于环化。此外,线性-到-环状异构化是可逆的。加热除去协调的H 2水分子,这进一步触发器环状-到-线性异构化。DASA已应用于水蒸气和加热控制下的信息隐藏/显示和颜色切换。

更新日期:2019-10-17
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