Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B5O10] groups.

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Dalton Transactions Pub Date : 2025-10-21 DOI:10.1039/d5dt01944c

Yixin Song,Hongwei Yu,Hongping Wu,Zhanggui Hu,Jiyang Wang,Yicheng Wu

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引用次数: 0

Abstract

Eight new compounds, namely K7MgSc2(B5O10)3, K7Sr0.34Sc2.44(B5O10)3, K6Li0.94BaY2.02(B5O10)3, K6NaBaY2(B5O10)3, Rb5.3Na3.7Y2(B5O10)3, Rb6Na1.5Y2.5(B5O10)3, K6Na1.82Y2.18(B5O10)3, and K7Mg0.88Zn0.12Y2(B5O10)3, were successfully synthesized with the aid of the flexibility of isolated anion groups. All the compounds crystallize in the non-centrosymmetric (NCS) space group R32. Their structures feature a zero-dimensional configuration composed of isolated [B5O10] groups, which are connected by an [MO6]-based octahedron, forming a three-dimensional framework with tunnels filled by the other cations. The compounds show an appropriate second harmonic generation (SHG) response, comparable to that of commercial KH2PO4 (KDP), and a short ultraviolet (UV) cut-off edge (<190 nm), achieving optimal balance between the two critical parameters for nonlinear optical (NLO) applications in the UV region. Additionally, for a deeper investigation of the structural flexibility, a comparison was carried out in A7MRE2(B5O10)3 (A = alkali metal, M = divalent element, and RE = rare earth metal) structures. The fascinating results indicate that the single point link between the M cation-centered octahedron and isolated [B5O10] groups increases the structural flexibility and adjustability to accommodate varied cations, providing the foundations for the design of novel compositions.

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利用[B5O10]孤立基团的柔韧性合成一系列有前途的紫外非线性光学材料。

利用分离阴离子基团的柔顺性，成功合成了K7MgSc2(B5O10)3、K7Sr0.34Sc2.44(B5O10)3、K6Li0.94BaY2.02(B5O10)3、K6NaBaY2(B5O10)3、Rb5.3Na3.7Y2(B5O10)3、Rb6Na1.5Y2.5(B5O10)3、K6Na1.82Y2.18(B5O10)3、K7Mg0.88Zn0.12Y2(B5O10)3等8个新化合物。所有化合物均在非中心对称（NCS）空间群R32中结晶。它们的结构具有由孤立的[B5O10]基团组成的零维构型，这些基团由基于[MO6]的八面体连接，形成一个由其他阳离子填充的隧道的三维框架。该化合物表现出与商用KH2PO4 （KDP）相当的二次谐波产生（SHG）响应和短紫外（UV）截止边（<190 nm），实现了非线性光学（NLO）在紫外区域应用的两个关键参数之间的最佳平衡。此外，为了更深入地研究结构柔韧性，对A7MRE2(B5O10)3 （a =碱金属，M =二价元素，RE =稀土金属）结构进行了比较。研究结果表明，M阳离子为中心的八面体和孤立的[B5O10]基团之间的单点连接增加了结构的灵活性和可调节性，以适应不同的阳离子，为设计新的组合物提供了基础。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Dalton Transactions 化学-无机化学与核化学

CiteScore

6.60

自引率

7.50%

发文量

1832

审稿时长

1.5 months

期刊介绍： Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.