Expanding the chemistry of borates with functional [BO2]− anions

Chunmei Huang; Miriding Mutailipu; Fangfang Zhang; Kent J. Griffith; Cong Hu; Zhihua Yang; John M. Griffin; Kenneth R. Poeppelmeier; Shilie Pan

doi:10.1038/s41467-021-22835-4

Expanding the chemistry of borates with functional [BO₂]⁻ anions

Chunmei Huang, Miriding Mutailipu, Fangfang Zhang, Kent J. Griffith, Cong Hu, Zhihua Yang, John M. Griffin, Kenneth R. Poeppelmeier^*, Shilie Pan^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

116 Scopus citations

Abstract

More than 3900 crystalline borates, including borate minerals and synthetic inorganic borates, in addition to a wealth of industrially-important boron-containing glasses, have been discovered and characterized. Of these compounds, 99.9 % contain only the traditional triangular BO₃ and tetrahedral BO₄ units, which polymerize into superstructural motifs. Herein, a mixed metal K₅Ba₂(B₁₀O₁₇)₂(BO₂) with linear BO₂ structural units was obtained, pushing the boundaries of structural diversity and providing a direct strategy toward the maximum thresholds of birefringence for optical materials design. ¹¹B solid-state nuclear magnetic resonance (NMR) is a ubiquitous tool in the study of glasses and optical materials; here, density functional theory-based NMR crystallography guided the direct characterization of BO₂ structural units. The full anisotropic shift and quadrupolar tensors of linear BO₂ were extracted from K₅Ba₂(B₁₀O₁₇)₂(BO₂) containing BO₂, BO₃, and BO₄ and serve as guides to the identification of this powerful moiety in future and, potentially, previously-characterized borate minerals, ceramics, and glasses.

Original language	English (US)
Article number	2597
Journal	Nature communications
Volume	12
Issue number	1
DOIs	https://doi.org/10.1038/s41467-021-22835-4
State	Published - Dec 1 2021

Funding

This work was financially supported by the National Natural Science Foundation of China (61922084, 52002397), the Science and Technology Service Network Initiative of CAS (KFJ-STS-QYZD-130), Xinjiang Tianshan Youth Program-Outstanding Young Science and Technology Talents (2019Q026), Tianshan Cedar Program of Scientific and Technological Talents (2018XS10), and Key Research Program of Frontier Sciences, CAS (ZDBS-LY-SLH035). This work made use of the IMSERC NMR facility at Northwestern University, which has received support from the National Science Foundation (NSF DMR-0521267), the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-1542205), the State of Illinois, and the International Institute for Nanotechnology (IIN). K.J.G. and K.R.P. were supported as part of the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES).

ASJC Scopus subject areas

General Chemistry
General Biochemistry, Genetics and Molecular Biology
General Physics and Astronomy

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10.1038/s41467-021-22835-4

Cite this

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title = "Expanding the chemistry of borates with functional [BO2]− anions",

abstract = "More than 3900 crystalline borates, including borate minerals and synthetic inorganic borates, in addition to a wealth of industrially-important boron-containing glasses, have been discovered and characterized. Of these compounds, 99.9 % contain only the traditional triangular BO3 and tetrahedral BO4 units, which polymerize into superstructural motifs. Herein, a mixed metal K5Ba2(B10O17)2(BO2) with linear BO2 structural units was obtained, pushing the boundaries of structural diversity and providing a direct strategy toward the maximum thresholds of birefringence for optical materials design. 11B solid-state nuclear magnetic resonance (NMR) is a ubiquitous tool in the study of glasses and optical materials; here, density functional theory-based NMR crystallography guided the direct characterization of BO2 structural units. The full anisotropic shift and quadrupolar tensors of linear BO2 were extracted from K5Ba2(B10O17)2(BO2) containing BO2, BO3, and BO4 and serve as guides to the identification of this powerful moiety in future and, potentially, previously-characterized borate minerals, ceramics, and glasses.",

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Expanding the chemistry of borates with functional [BO₂]⁻ anions

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CSD 1845847: Experimental Crystal Structure Determination

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Expanding the chemistry of borates with functional [BO2]− anions

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CSD 1845847: Experimental Crystal Structure Determination

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Expanding the chemistry of borates with functional [BO₂]⁻ anions