Rational Design of the First Ammonium Magnesium Borate with Deep-Ultraviolet Cutoff Edge and Moderate Birefringence and Further Investigation into the Nature of Ammonium in the Borate System

Feixiang Wang; Mengfan Wu; Zhihua Yang; Xifa Long; Yun Yang; Shilie Pan

doi:10.1021/acs.inorgchem.2c04129

Rational Design of the First Ammonium Magnesium Borate with Deep-Ultraviolet Cutoff Edge and Moderate Birefringence and Further Investigation into the Nature of Ammonium in the Borate System

Inorg Chem. 2023 Jan 30;62(4):1697-1707. doi: 10.1021/acs.inorgchem.2c04129. Epub 2023 Jan 18.

Authors

Feixiang Wang^{1

2}, Mengfan Wu^{1

2}, Zhihua Yang^{1

2}, Xifa Long^{1

2}, Yun Yang^{1

2}, Shilie Pan^{1

2}

Affiliations

¹ Research Center for Crystal Materials, CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry, CAS, 40-1 South Beijing Road, Urumqi830011, China.
² Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing100049, China.

PMID: 36651178
DOI: 10.1021/acs.inorgchem.2c04129

Abstract

Through the rational design of the experimental method, the first combination of ammonium and magnesium in the borate system was successfully achieved. In this paper, a case of ammonium magnesium borate, (NH₄)₂{Mg(H₂O)₂[B₆O₇(OH)₆]₂}·2H₂O, was successfully synthesized by a mild hydrothermal method at a relatively low temperature. A brief review was performed to show the participation of NH₄⁺ in the recent development of optical materials. By discussing the optimum synthesis method of ammonium-containing borates and the main factors affecting the dimensionality of B-O anionic groups in their structures, the design strategy for synthesizing ammonium-containing borate and adjusting its structure has been put forward. Relevant experimental measurement results and the first-principles calculation results show that the title compound has a deep-UV cutoff edge (<200 nm) and moderate birefringence (Δn_cal. = 0.064 @546 nm), which indicates its potential application in the deep-UV region.