Schönegger Sandra, Pielnhofer Florian, Saxer Andreas, Wurst Klaus, Huppertz Hubert
Institut für Allgemeine, Anorganische und Theoretische Chemie , Universität Innsbruck , Innrain 80-82 , 6020 Innsbruck , Austria.
Institut für Anorganische Chemie , Universität Regensburg , Universitätsstraße 31 , D-93053 Regensburg , Germany.
Inorg Chem. 2019 May 6;58(9):6088-6094. doi: 10.1021/acs.inorgchem.9b00377. Epub 2019 Apr 9.
The tin iodide borate Sn[BO]I was synthesized via a hydrothermal synthesis and crystallizes in the centrosymmetric space group Pbca (no. 61) possessing lattice parameters of a = 1071.8(3), b = 852.3(2), and c = 2016.8(5) pm and Z = 8. Characteristic for the structure are infinite chains along the b axis, built up of three membered BO rings consisting of one BO unit and two corner-sharing BO tetrahedra. The three tin cations are oriented differently: one cation is located layer-like between the infinite chains, and the other two cations show an orientation in a row with the infinite chain. In this structure, only one of the three tin cations exhibits a coordination to the halogen anion. The new centrosymmetric tin iodide borate Sn[BO]I was investigated by single-crystal diffraction, vibrational spectroscopy, powder X-ray diffraction data, thermogravimetry, differential scanning calorimetry, and DFT calculations.
碘化硼锡酸盐Sn[BO]I通过水热合成法制备而成，其晶体属于中心对称空间群Pbca（编号61），晶格参数为a = 1071.8(3)、b = 852.3(2)和c = 2016.8(5)皮米，Z = 8。该结构的特征是沿b轴存在无限长链，由由一个BO单元和两个共用角的BO四面体组成的三元BO环构成。三个锡阳离子的取向不同：一个阳离子呈层状位于无限长链之间，另外两个阳离子与无限长链呈一排排列。在这种结构中，三个锡阳离子中只有一个与卤素阴离子配位。通过单晶衍射、振动光谱、粉末X射线衍射数据、热重分析、差示扫描量热法和密度泛函理论计算对新型中心对称碘化硼锡酸盐Sn[BO]I进行了研究。
