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ZrF(IO) 和RbGaF(IO):两种具有一维金属氟化物阳离子链和宽带隙的有前景的双折射晶体。

ZrF(IO) and RbGaF(IO): Two Promising Birefringent Crystals Featuring 1D Metal-Fluoride Cationic Chains and Wide Bandgaps.

作者信息

Chen Jin, Du Ke-Zhao

机构信息

College of Chemistry and Materials Science, Fujian Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou350002, China.

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou350002, China.

出版信息

Inorg Chem. 2022 Nov 7;61(44):17893-17901. doi: 10.1021/acs.inorgchem.2c03267. Epub 2022 Oct 26.

DOI:10.1021/acs.inorgchem.2c03267
PMID:36288086
Abstract

Herein, two novel metal iodate-fluorides, ZrF(IO) and RbGaF(IO), have been prepared hydrothermal reactions. In the structure of ZrF(IO), neighboring Zr atoms are connected a pair of F atoms into the one-dimensional (1D) [ZrF] cationic chain, which further attaches two iodate groups forming 1D ZrF(IO), whereas the 1D cationic chain in RbGaF(IO) is [GaF], formatted by the bridging of Ga cations and axial F anions, which further connect with one iodate group and two terminal F anions into 1D [GaF(IO)] anionic chains. According to the experimental characterization and theoretical calculations, both of them exhibit wide bandgaps (4.24 and 4.61 eV), short absorption edges (242 and 216 nm), and large birefringence (Δ = 0.329 @1064 nm and Δ = 0.174 @1064 nm for ZrF(IO) and RbGaF(IO), respectively), indicating that they can be candidates as UV birefringent materials.

摘要

在此,通过水热反应制备了两种新型金属碘酸盐氟化物,即ZrF(IO)和RbGaF(IO)。在ZrF(IO)的结构中,相邻的Zr原子通过一对F原子连接形成一维(1D) [ZrF]阳离子链,该阳离子链进一步连接两个碘酸根基团形成1D ZrF(IO),而RbGaF(IO)中的1D阳离子链为[GaF],由Ga阳离子和轴向F阴离子桥连形成,该阳离子链进一步与一个碘酸根基团和两个末端F阴离子连接形成1D [GaF(IO)]阴离子链。根据实验表征和理论计算,它们都表现出宽带隙(4.24和4.61 eV)、短吸收边(242和216 nm)以及大双折射(对于ZrF(IO)和RbGaF(IO),分别在1064 nm处Δ = 0.329和在1064 nm处Δ = 0.174),这表明它们可作为紫外双折射材料的候选物。

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