A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species

被引：54

作者：

Han, Guopeng ^{[1
,2
]}

Lei, Bing-Hua ^{[1
,2
]}

Yang, Zhihua ^{[1
]}

Wang, Ying ^{[1
]}

Pan, Shilie ^{[1
]}

机构：

[1] Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China

[2] Univ Chinese Acad Sci, Beijing 100049, Peoples R China

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2018年 / 57卷 / 31期

基金：

中国国家自然科学基金;

关键词：

fluorine; fluorooxosilicates; silicon; solid-state NMR; structure elucidation; NONLINEAR-OPTICAL MATERIAL; BOND-VALENCE PARAMETERS; POST-PEROVSKITE PHASE; PURE SILICA ZEOLITE; CRYSTAL-STRUCTURE; AB-INITIO; RE; FLUORINE; FLUOROOXOBORATE; TRANSITION;

D O I：

10.1002/anie.201805759

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The large number and structural beauty of silicates are largely due to the variety of connection mode of SiO4 tetrahedra. SiO6 and SiF6 octahedra are also known and give rise for structural versatility of inorganic silicates. However, to date, the crystal structure of inorganic fluorooxosilicates with oxofluoride SiOxF4-x or SiOxF6-x species are unknown. Now, fluorine was successfully introduced into the silicophosphates, and the first fluorooxosilicophosphate K4Si3P2O7F12 with an unprecedented SiO2F4 species was synthesized. The existence of Si-F bonds was verified by comprehensively experimental and theoretical work. Using ab initio and bond valence calculations, the oxofluoride SiOxF6-x species is shown to be stable when oxygen atoms connect to other atoms with strong covalent interactions. This work will contribute to the structural diversity of silicate chemistry by the exploration of the new fluorooxosilicates.

引用

页码：9828 / 9832

页数：5

共 83 条

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