Syntheses, structures and properties of two new members of the pentaborate family: NaKB5O8(OH)·H2O and KB5O8·2H2O†

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Dalton Transactions Pub Date : 2024-10-23 DOI:10.1039/D4DT02672A

Xiaojing Li, Luyong Zhang, Fuming Li, Zhihua Yang, Xueling Hou and Fangfang Zhang

{"title":"Syntheses, structures and properties of two new members of the pentaborate family: NaKB5O8(OH)·H2O and KB5O8·2H2O†","authors":"Xiaojing Li, Luyong Zhang, Fuming Li, Zhihua Yang, Xueling Hou and Fangfang Zhang","doi":"10.1039/D4DT02672A","DOIUrl":null,"url":null,"abstract":"Two new members of the pentaborate family, NaKB5O8(OH)·H2O (I) and KB5O8·2H2O (II), were successfully synthesized, which crystallize in the space groups of P<img> and Fddd, respectively. In compound I, [B5O10(OH)] fundamental building blocks (FBBs) form a two-dimensional (2D) 2[B5O8(OH)]∞ layer through corner-sharing, whereas in compound II, [B5O10] FBBs form two independent interpenetrating 3D 3[B5O8]∞ networks by sharing common O atoms. The UV-vis-NIR diffuse reflectance spectrum and first-principles calculations suggest that the two compounds possess deep-ultraviolet (DUV) transparency windows. Real-space atom-cutting and response electron distribution anisotropy (REDA) analyses show that the birefringence of both compounds mainly originates from the π-conjugated units.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":" 46","pages":" 18782-18788"},"PeriodicalIF":3.3000,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Dalton Transactions","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2024/dt/d4dt02672a","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}

引用次数: 0

Abstract

Two new members of the pentaborate family, NaKB₅O₈(OH)·H₂O (I) and KB₅O₈·2H₂O (II), were successfully synthesized, which crystallize in the space groups of P and Fddd, respectively. In compound I, [B₅O₁₀(OH)] fundamental building blocks (FBBs) form a two-dimensional (2D) ²[B₅O₈(OH)]_∞ layer through corner-sharing, whereas in compound II, [B₅O₁₀] FBBs form two independent interpenetrating 3D ³[B₅O₈]_∞ networks by sharing common O atoms. The UV-vis-NIR diffuse reflectance spectrum and first-principles calculations suggest that the two compounds possess deep-ultraviolet (DUV) transparency windows. Real-space atom-cutting and response electron distribution anisotropy (REDA) analyses show that the birefringence of both compounds mainly originates from the π-conjugated units.

Abstract Image

查看原文本刊更多论文

五硼酸盐家族两个新成员 NaKB5O8(OH)-H2O 和 KB5O8-2H2O 的合成、结构和性质

成功合成了五硼酸盐家族的两个新成员 NaKB5O8(OH)-H2O (I) 和 KB5O8-2H2O (II)，它们分别在 P "1" @#x0305; 和 Fddd 空间群中结晶。在化合物 I 中，[B5O10(OH)] 基本结构单元（FBBs）通过共角构成二维（2D）2[B5O8(OH)]∞ 层，而在化合物 II 中，[B5O10] FBBs 通过共用 O 原子形成两个独立的相互渗透的三维 3[B5O8]∞ 网络。紫外-可见-近红外漫反射光谱和第一原理计算表明，这两种化合物具有深紫外（DUV）透明窗口。实空间原子切割和响应电子分布各向异性（REDA）分析表明，这两种化合物的双折射主要源于π共轭单元。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

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.