Structural Evolution and Optical Properties of Hydroxyfluorooxoborates MM′2n-1[B3O3F4(OH)] n (M = K, Cs, and Rb; M′ = K, NH4, and Cs; n=1, 2, and 3)

被引：2

作者：

Pei, Huan ^{[1
]}

Zhang, Luyong ^{[1
,2
]}

Cheng, Huanhuan ^{[1
,2
]}

Wang, Shibin ^{[1
]}

Yang, Zhihua ^{[1
,2
]}

Zhang, Fangfang ^{[1
,2
]}

Pan, Shilie ^{[1
,2
]}

机构：

[1] Chinese Acad Sci, Res Ctr Crystal Mat, State Key Lab Funct Mat & Devices Special Environm, Xinjiang Key Lab Funct Crystal Mat,Xinjiang Tech I, Urumqi 830011, Peoples R China

[2] Univ Chinese Acad Sci, Ctr Mat Sci & Optoelect Engn, Beijing 100049, Peoples R China

来源：

CHEMISTRY OF MATERIALS | 2024年 / 36卷 / 23期

基金：

中国国家自然科学基金;

关键词：

FLUOROOXOBORATE; FLUOROBORATE; CRYSTAL; KBBF;

D O I：

10.1021/acs.chemmater.4c02853

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Four hydroxyfluorooxoborates, alpha-K2[B3O3F4(OH)] (I), beta-K2[B3O3F4(OH)] (II), Cs(NH4)3[B3O3F4(OH)]2 (III), and RbCs5[B3O3F4(OH)]3 (IV), with identical fundamental building block (FBB) [B3O3F4(OH)]2-, were obtained successfully and characterized comprehensively. A phase transition between I and II was detected, which led to a space group evolution from centrosymmetric to noncentrosymmetric. The F- and OH- substitution effect was studied based on II and its hydroxyborate derivative K2[B3O3(OH)5], which reveals the corresponding changes in the band gap and the nonlinear optical properties. In addition, the cationic-size effect on the arrangement of the [B3O3F4(OH)]2- FBBs and the birefringent properties were discussed for the title compounds. This study contributes to the advancement of structural chemistry and sheds some light on the structure-property relationship studies of hydroxyfluorooxoborates.

引用

页码：11697 / 11705

页数：9

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