K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks

Tingting Shi; Fangfang Zhang; Abudukadi Tudi; Zhihua Yang; Shilie Pan

doi:10.1039/C9NJ02543J

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K₂[B₄O₅(OH)₄]·H₂O and K₂[B₄O₅(OH)₄]: two new hydrated potassium borates with isolated [B₄O₅(OH)₄]²⁻ units and different structural frameworks†

Tingting Shi,‡^ab Fangfang Zhang,‡^ab Abudukadi Tudi,^ab Zhihua Yang

^ab and Shilie Pan

*^ab

Author affiliations

* Corresponding authors

^a CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry, CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China
E-mail: slpan@ms.xjb.ac.cn

^b Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China

Abstract

Two new hydrated potassium borates, K₂[B₄O₅(OH)₄]·H₂O (I) and K₂[B₄O₅(OH)₄] (II), have been synthesized by using a mild flux method. The compounds crystallize in the space groups P [1 with combining macron] (No. 2) and Pbcn (No. 60), respectively, and consist of fundamental building blocks (FBBs) of isolated [B₄O₅(OH)₄]²⁻ units forming the final three-dimensional anionic network through hydrogen bonds. In the absence of lattice water, the K–O groups show evolution from the [K₂O₁₀]_∞ double-chain in I to the [KO₄]_∞ corrugated-layer in II. Specifically, the assembly types of hydrous [B₄O₅(OH)₄]²⁻ and anhydrous [B₄O₉]⁶⁻ FBBs in a series of borates have been discussed. In addition, first-principles calculations were implemented to analyze the relationship between the electronic structures and optical properties of the title compounds.

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Correction: K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium bora…

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Article information

DOI: https://doi.org/10.1039/C9NJ02543J
Article type: Paper
Submitted: 16 May 2019
Accepted: 18 Jun 2019
First published: 18 Jun 2019

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New J. Chem., 2019,43, 11660-11665

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K₂[B₄O₅(OH)₄]·H₂O and K₂[B₄O₅(OH)₄]: two new hydrated potassium borates with isolated [B₄O₅(OH)₄]²⁻ units and different structural frameworks

T. Shi, F. Zhang, A. Tudi, Z. Yang and S. Pan, New J. Chem., 2019, 43, 11660 DOI: 10.1039/C9NJ02543J

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