Neutron wavelength-resolved Laue diffraction experiments permit accurate refinement of the H-atom positions and anisotropic displacement parameters of [Mes₃SbOH][O₃SPh]. A multipole-based charge density refinement and a topological analysis of the refined electron density were also performed. Hirshfeld atom refinement (HAR) recovers the neutron-determined H-atom parameters, and the quantum-mechanical electron density used in HAR recovers the electron density topology from the refined multipole model. These results confirm that [Mes₃SbOH][O₃SPh] does indeed feature a hydroxystibonium cation with a nominal Sb–O single bond and not a stibine oxide with an Sb=O/Sb⁺–O^– bond.

中文翻译：

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[Mes3SbOH][O3SPh] 的 H 原子分配和 Sb-O 键合由中子衍射、多极建模和 Hirshfeld 原子细化证实

中子波长分辨劳厄衍射实验允许准确细化 [Mes ₃ SbOH][O ₃ SPh]的 H 原子位置和各向异性位移参数。还进行了基于多极的电荷密度细化和细化电子密度的拓扑分析。Hirshfeld 原子精修 (HAR) 恢复了中子确定的 H 原子参数，HAR 中使用的量子力学电子密度从精炼的多极模型中恢复了电子密度拓扑。这些结果证实 [Mes ₃ SbOH][O ₃ SPh] 确实具有具有标称 Sb-O 单键的羟基锑阳离子，而不是具有 Sb=O/Sb ⁺ -O ^-键的氧化锑。