[C3H7N6]3[B3O5(OH)2] 和 [C3H8N6]4[B12O19(OH)6]：两种具有大双折射的三聚氰胺硼酸盐。

IF 4.3 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Pub Date : 2024-11-18 DOI:10.1021/acs.inorgchem.4c04170

Ya-Lan Deng, Chun-Li Hu, Jiang-Gao Mao

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[C3H7N6]3[B3O5(OH)2] and [C3H8N6]4[B12O19(OH)6]: Two Melamine Borates with Large Birefringence.

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[C₃H₇N₆]₃[B₃O₅(OH)₂] and [C₃H₈N₆]₄[B₁₂O₁₉(OH)₆]: Two Melamine Borates with Large Birefringence.

The π-conjugated [C₃H_6+xN₆]^x+ (x = 0-3) cations are good functional groups, which are widely employed in the preparations of nonlinear optical (NLO) and birefringent materials due to their high hyperpolarizability and optical anisotropy. In this paper, the first melamine hydroxyborate [C₃H₇N₆]₃[B₃O₅(OH)₂] (MelBO-I) was synthesized by the boric acid melting method under the molar ratio of H₃BO₃:C₃H₆N₆ = 1:1. MelBO-I (P2₁/c) exhibits a two-dimensional (2D) {[C₃H₇N₆]₃[B₃O₅(OH)₂]}_∞ layer composed of [C₃H₇N₆]⁺ cations and [B₃O₅(OH)₂]^3- anions interconnected via hydrogen bonds. MelBO-I exhibits significant birefringence (Δn = 0.286@546 nm). Under the molar ratio of H₃BO₃/C₃H₆N₆ = 3:1, [C₃H₈N₆]₄[B₁₂O₁₉(OH)₆] (MelBO-II) was isolated. In MelBO-II (P2₁), highly polymerized [B₁₂O₁₉(OH)₆]^8- groups form a 3D network through hydrogen bonding, featuring 1D tunnels of 8-membered and 16-membered rings filled by [C₃H₈N₆]²⁺ cations. MelBO-II is the first noncentrosymmetric (NCS) bifunctional melamine borate with a moderate SHG response (0.4 × KDP) and large birefringence (Δn = 0.285@546 nm). The results indicate that incorporating [C₃H_6+xN₆]^x+ (x = 0-3) cations into borate can effectively induce birefringence. A high concentration of boric acid promotes the formation of large boric acid cluster anions and facilitates the transformation from the CS to NCS structure.

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来源期刊

Inorganic Chemistry 化学-无机化学与核化学

CiteScore

7.60

自引率

13.00%

发文量

1960

审稿时长

1.9 months

期刊介绍： Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.