Hao Xia, Luo Min, Lin Chensheng, Peng Guang, Xu Feng, Ye Ning
Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, China.
School of Physical Science and Technology, ShanghaiTech University, Shanghai, 201210, China.
Angew Chem Int Ed Engl. 2021 Mar 29;60(14):7621-7625. doi: 10.1002/anie.202016372. Epub 2021 Mar 3.
Over the last few decades, the development of each new nonlinear optical (NLO)-active functional unit has led to the discoveries of a series of excellent NLO materials. In the present work, based on first-principles studies, we identified a novel deep-UV (DUV) NLO-active functional unit, a non-π-conjugated group viz. (NH SO ) . By combining alkaline-earth metals with (NH SO ) group, two DUV transparent NLO sulfamates, M(NH SO ) (M=Sr, Ba) with superior optical properties including strong SHG responses (1.2 and 2.7 × KH PO (KDP)), short UV cut-off edge (<190 nm) and moderate birefringence (0.056@589.3 nm for Sr(NH SO ) ) were successfully synthesized. Our work has provided not only two promising DUV transparent NLO crystals, but also an innovative non-π-conjugated unit for developing more DUV transparent NLO materials.
在过去几十年中，每一种新型非线性光学（NLO）活性功能单元的开发都带来了一系列优异NLO材料的发现。在本工作中，基于第一性原理研究，我们确定了一种新型深紫外（DUV）NLO活性功能单元，即一个非π共轭基团（NH₂SO₃）⁻。通过将碱土金属与（NH₂SO₃）⁻基团相结合，成功合成了两种具有优异光学性能的DUV透明NLO氨基磺酸盐M(NH₂SO₃)₂（M = Sr、Ba），包括强倍频响应（分别为KH₂PO₄（KDP）的1.2倍和2.7倍）、短紫外截止边（<190 nm）以及适度的双折射（Sr(NH₂SO₃)₂在589.3 nm处为0.056）。我们的工作不仅提供了两种有前景的DUV透明NLO晶体，还为开发更多DUV透明NLO材料提供了一个创新的非π共轭单元。
