Abstract

We have determined the crystal structure of gallium(III) fluoride dimeric complex [N(CH₃)₄]₂[Ga₂F₈(H₂O)₂], which is composed of [N(CH₃)₄]⁺ tetrahedral cations and [Ga₂F₈(H₂O)₂]^2– dimeric complex anions, formed by combining two slightly distorted GaF₅(H₂O) octahedral groups with a common F–F edge. By O–H···F hydrogen bonds, [Ga₂F₈(H₂O)₂]^2– dimeric complex anions unite into polymer chains, between which tetramethylammonium cations are located. Based on quantum-chemical calculations, we have assigned bands in vibrational spectra of the synthesized compound. Bands that refer to vibrations of anions, cations and H₂O molecules involved in hydrogen bonds have been identified in the spectra.

中文翻译：

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四甲基铵阳离子氟化镓（III）二聚配合物的结构和振动光谱

摘要

我们已经确定了由[N（CH ₃）₄ ] ⁺四面体组成的氟化镓（III）二聚体[N（CH ₃）₄ ] ₂ [Ga ₂ F ₈（H ₂ O）₂ ]的晶体结构。阳离子和[Ga ₂ F ₈（H ₂ O）₂ ] ^2-二聚体复合阴离子，是通过将两个略微扭曲的GaF ₅（H ₂ O）八面体基团与共同的F-F边缘结合而形成的。通过OH-F氢键，[Ga ₂ F ₈（H ₂O）₂ ] ^2-二聚体复合阴离子结合成聚合物链，四甲基铵阳离子位于它们之间。根据量子化学计算，我们在合成化合物的振动光谱中分配了能带。在光谱中已经确定了涉及氢键的阴离子，阳离子和H ₂ O分子振动的谱带。