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

Journal Article · · Nature Communications
 [1];  [2];  [2];  [3];  [2];  [2];  [4];  [3];  [2]
  1. Chinese Academy of Sciences (CAS), Urumqi (China); Univ. of Chinese Academy of Sciences, Beijing (China); OSTI
  2. Chinese Academy of Sciences (CAS), Urumqi (China); Univ. of Chinese Academy of Sciences, Beijing (China)
  3. Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry
  4. Lancaster Univ., Bailrigg (United Kingdom). Dept. of Chemistry
+ Show Author Affiliations
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 BO2were extracted from K5Ba2(B10O17)2(BO2) containing BO2, BO3, and BO4and serve as guides to the identification of this powerful moiety in future and, potentially, previously-characterized borate minerals, ceramics, and glasses.
Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
1816184
Journal Information:
Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 12; ISSN 2041-1723
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

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