Synthesis and topology analysis of chlorido-triphen-yl(triphenyl phosphate-κO)tin(IV).

氯代三苯 (磷酸三苯酯 - κ O) 锡 (Ⅳ) 的合成及拓扑分析.

• 发表时间: Jan 2023 1
• 来源期刊: Acta Crystallogr E Crystallogr Commun
• DOI: 10.1107/S2056989023000270
• PMID: 36793403
• 文章类型: Journal Article
• 作者列表: Pouye SF,Bernès S,Yaffa L,Diallo W,Cissé I,Diop CAK,Sidibé M,Diop L

关键词: QTAIM; crystal structure; stannane; topology analysis; tri­phenyl­phosphate

Abstract

The title SnIV complex, [Sn(C6H5)3Cl(C18H15O4P)], is a formal adduct between triphenyl phosphate (PhO)3P=O and the stannane derivative chlorido-tri-phenyl-tin, SnPh3Cl. The structure refinement reveals that this mol-ecule displays the largest Sn-O bond length for compounds including the X=O→SnPh3Cl fragment (X = P, S, C, or V), 2.6644 (17) Å. However, an AIM topology analysis based on the wavefunction calculated from the refined X-ray structure shows the presence of a bond critical point (3,-1), lying on the inter-basin surface separating the coordinated phosphate O atom and the Sn atom. This study thus shows that an actual polar covalent bond is formed between (PhO)3P=O and SnPh3Cl moieties.

摘要

标题SnIV复杂，[Sn(C6H5)3Cl(C18H15O4P)],是磷酸三苯酯（PhO）3P=O和锡烷衍生物氯-三苯基-锡之间的正式加合物，SnPh3Cl.结构细化表明，对于包括X=O→SnPh3Cl片段（X=P，S,C,或V)，2.6644（17）。然而,AIM拓扑分析基于波函数计算从精细的X射线结构显示的键临界点（3，-1）的存在，位于盆间表面上，将配位的磷酸盐O原子和Sn原子分开。因此,该研究表明,在(PhO)3P=O和SnPh3Cl部分之间形成了实际的极性共价键。