The reaction between molybdenum(II) acetate and 5-aminoisophthalic acid (H2Iso-NH2) afforded [Mo12O12(μ2-O)12(Iso-NH2)12]12–, a novel molybdenum(V) metal–organic polyhedron (MOP) with a triangular antiprismatic shape stabilized by intramolecular N–H···O hydrogen bonds. The synthesis conditions, particularly the choice of solvent and reaction time, led to the precipitation of the Mo(V)-MOP in one of five distinct crystalline forms. These forms vary in their packing arrangements, co-crystallized solvent molecules, and counter-cations, with three phases containing dimethylammonium (dma+) and the other two containing diethylammonium (dea+). Each solvatomorph exhibits unique physical properties, including differences in porosity, and stability. These properties were discerned through empirical observations and supported by density functional theory calculations. Remarkably, the solubility of these MOP solvatomorphs in water was determined for the first time, with values of 4.30(2) g/L for a (dma)12[Mo(V)-MOP] phase, and 10.25(7) g/L and 14.41(10) g/L for two (dea)12[Mo(V)-MOP] phases. Additionally, aqueous solutions of the Mo(V)-MOP were found to conduct electricity as weak electrolytes, showcasing their potential for applications in fields requiring partially ionized species.

中文翻译：

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溶晶多样性决定了金属-有机多面体的稳定性和溶解度


乙酸钼（II）与5-氨基间苯二甲酸（H2Iso-NH2）之间的反应得到了[Mo12O12（μ2-O）12（Iso-NH2）12]12–，一种新型钼（V）金属-有机多面体（MOP），具有三角形反棱柱形状，由分子内N-H···O 氢键。合成条件，特别是溶剂和反应时间的选择，导致 Mo（V）-MOP 以五种不同的结晶形式之一沉淀。这些形式在堆积排列、共结晶溶剂分子和反阳离子方面各不相同，其中三相含有二甲基铵 （dma+），另外两相含有二乙基铵 （dea+）。每种溶剂型都表现出独特的物理性质，包括孔隙率和稳定性的差异。这些特性是通过实证观察来辨别的，并得到密度泛函理论计算的支持。值得注意的是，首次测定了这些 MOP 溶剂型在水中的溶解度，（dma）12[Mo（V）-MOP] 相的溶解度为 4.30（2） g/L，两个 （dea）12[Mo（V）-MOP] 相的溶解度为 10.25（7） g/L 和 14.41（10） g/L。此外，发现 Mo（V）-MOP 的水溶液作为弱电解质导电，展示了它们在需要部分电离物种的领域中应用的潜力。