M(B(SeO3)3)H2O (M = Al, Ga): the first boroselenites with a unique sandwich like double-layer structure. Issue 42 (5th October 2021)

• Record Type: Journal Article
• Authors: Cao, Ming-Yang; Hu, Chun-Li; Kong, Fang; Xiong, Zhe-Yao; Mao, Jiang-Gao
• Is Part Of: Dalton transactions. Volume 50:Issue 42(2021)
• Page Start: 15057
• Page End: 15061
• Publication Date: 2021-10-05
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d1dt02890a
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : M(B(SeO3 )3 )H2 O (M = Al, Ga) possesses a unique sandwich type double-layer structure formed by two [MSe2 O8 ] 5− 2D layers interconnected by [BSeO5 ] 3− 1D chains, large band gaps and moderate birefringences. Abstract : Exploration of new types of borates is important because of their promising applications in diverse fields. Two new boroselenites, namely, M(B(SeO3 )3 )H2 O (M = Al, Ga), which represent the first IIIA metal boroselenite, were synthesized by hydrothermal reactions. M(B(SeO3 )3 )H2 O (M = Al, Ga) possesses a unique sandwich like double-layer structure formed by two 2D [MSe2 O8 ] 5− layers interconnected by 1D [BSeO5 ] 3− chains. More interestingly, both compounds display large band gaps (4.86/4.79 eV) and moderate birefringences (Δ n = 0.063/0.064 at 1064 nm) based on density functional theory (DFT) calculations.