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 () and Shilie Pan ()
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Chunmei Huang: CAS Key Laboratory of Functional Materials and Devices for Special Environments
Miriding Mutailipu: CAS Key Laboratory of Functional Materials and Devices for Special Environments
Fangfang Zhang: CAS Key Laboratory of Functional Materials and Devices for Special Environments
Kent J. Griffith: Northwestern University
Cong Hu: CAS Key Laboratory of Functional Materials and Devices for Special Environments
Zhihua Yang: CAS Key Laboratory of Functional Materials and Devices for Special Environments
John M. Griffin: Lancaster University
Kenneth R. Poeppelmeier: Northwestern University
Shilie Pan: CAS Key Laboratory of Functional Materials and Devices for Special Environments

Nature Communications, 2021, vol. 12, issue 1, 1-8

Abstract: 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.

Date: 2021
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DOI: 10.1038/s41467-021-22835-4

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