{"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, 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\"1\" @#x0305; and Fddd, respectively. In compound I, [B5O10(OH)] fundamental building blocks (FBBs) constitute the 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. The real-space atom-cutting and the 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":null,"pages":null},"PeriodicalIF":3.5000,"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://doi.org/10.1039/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"1" @#x0305; and Fddd, respectively. In compound I, [B5O10(OH)] fundamental building blocks (FBBs) constitute the 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. The real-space atom-cutting and the response electron distribution anisotropy (REDA) analyses show that the birefringence of both compounds mainly originates from the π-conjugated units.
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.