两种非π结合的深紫外线非线性光学硫酸盐
Yanqiang Li1,2,3, Fei Liang1,4,3, Sangen Zhao1
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou , Fujian 350002 , China.
Journal of the American Chemical Society
|February 23, 2019
概括
研究人员使用非π合硫酸盐化合物发现了新的深紫非线性光学 (NLO) 材料. 这些新型硫酸盐具有显著的NLO特性,可以替代传统的π合材料.
科学领域:
- 材料科学
- 固态化学
- 光学学
背景情况:
- 在非线性光学 (NLO) 应用中,非π合硫酸盐系统在很大程度上尚未被探索.
- 传统的深紫外线 (深紫外线) NLO 材料通常依赖于 π 结合系统.
研究的目的:
- 研究非对称无水硫酸盐作为深紫外线NLO材料的潜力.
- 探索新的非π结合的NLO源.
主要方法:
- 从水溶液中轻易蒸发的晶体生长.
- 光学属性的表征,包括深紫外透明度和NLO反应.
- 了解结构与属性关系的第一原则计算.
主要成果:
- 合成和描述了两种新型无水硫酸盐NH4NaLi2 ((SO4) 2 (I) 和 (NH4) 2Na3Li9 ((SO4) 7 (Π).
- 这两种化合物都呈现出深紫外线区域的透明度.
- 阶段匹配的NLO反应分别为KH2PO4的1.1倍和0.5倍,这表明存在显著的NLO差距.
- 第一原理研究确定非π-结合的[SO4]2−离子是主要的NLO活性组.
结论:
- 不对称的无水硫酸盐代表着一个有前途的新类深紫外线NLO材料.
- NLO特性归因于非π合硫酸盐离子的独特电子结构,特别是非结合的O2p轨道.
- 这项工作开辟了基于非π结合框架的NLO材料设计的途径,与传统的π结合系统不同.
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