Freire Eleonora, Baggio Ricardo
Departamento de Física, Comisión Nacional de Energía Atómica and CONICET, Buenos Aires, Argentina.
Acta Crystallogr C. 2008 Apr;64(Pt 4):m164-6. doi: 10.1107/S0108270108006057. Epub 2008 Mar 15.
The present form of barium acetate, formulated as Ba(C(2)H(3)O(2))(2)(H(2)O)(3), is the largest reported hydrate of the salt and this leads to a distinct structural behaviour setting it apart from the rest of the family. The compound is a linear polymer with a nine-coordinate Ba(O(aqua))(3)(O(acetate))(6) monomer unit. The non-H part of the structure is ordered according to C2/m symmetry, while the disordered water H atoms only abide by this symmetry in a statistical sense. Each molecule is halved by a mirror plane bisecting the Ba centre, one water molecule and one acetate ligand, while containing the other acetate ligand. The chains are interconnected by a disordered water-water/acetate O-H...O hydrogen-bonding network involving all water H atoms. The structure and stability of this phase are compared with the other known acetates of barium which differ in the degree of hydration.
目前的醋酸钡形式,化学式为[Ba(C₂H₃O₂)₂(H₂O)₃]ₙ,是该盐类中已报道的最大水合物,这导致其具有独特的结构行为,使其与该系列的其他物质区分开来。该化合物是一种线性聚合物,具有九配位的Ba(O(水))₃(O(醋酸根))₆单体单元。结构的非H部分按C2/m对称性有序排列,而无序的水H原子仅在统计意义上遵循这种对称性。每个分子被一个平分Ba中心、一个水分子和一个醋酸根配体的镜面平分,同时包含另一个醋酸根配体。链通过涉及所有水H原子的无序水 - 水/醋酸根O - H...O氢键网络相互连接。将该相的结构和稳定性与其他已知的不同水合程度的钡醋酸盐进行了比较。