当前位置: X-MOL 学术J. Organomet. Chem. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Synthesis and characterization of aryltellurium compounds including mixed-valence derivatives − evaluation of Te⋅⋅⋅S, Te⋅⋅⋅X and X⋅⋅⋅X (X = Br, I) interactions
Journal of Organometallic Chemistry ( IF 2.3 ) Pub Date : 2020-10-06 , DOI: 10.1016/j.jorganchem.2020.121553
Ana J.Z. Londero , Nahum R. Pineda , Vinícius Matos , Paulo C. Piquini , Ulrich Abram , Ernesto S. Lang

In this article we describe the synthesis and characterization of [PhTe(tu)2][PhTeI4] and [MesTe(tu)][PhTeX4] (tu = thiourea, X = Br, I), containing multivalent tellurium species. During the syntheses of the compounds, the formation of different species, such as [PhTe(tu)I] or [I(tu)2][PhTeI4] was found, which were isolated and characterized. Thiourea was used in order to explore the relevance of Te···S bonds in the solid state structures of the products compared to related compounds with Te···X and X···X bonds in their molecular structures. Different types of chalcogen-chalcogen, chalcogen-halogen and halogen-halogen interactions are described by the combination of crystallographic data and computational methods. The nature of these interactions was evaluated by the noncovalent interaction index (NCI), and quantum theory of atoms in molecules (QTAIM) analyses.



中文翻译:

包括混合价衍生物的芳基碲化合物的合成与表征-对Te⋅⋅⋅S,Te⋅⋅⋅X和X⋅⋅⋅X(X = Br,I)相互作用的评估

在本文中,我们描述了包含多价碲物种的[PhTe(tu)2 ] [PhTeI 4 ]和[MesTe(tu)] [PhTeX 4 ](tu =硫脲,X = Br,I)的合成和表征。在化合物的合成过程中,发现了不同种类的化合物,例如[PhTe(tu)I]或[I(tu)2 ] [PhTeI 4 ],并对其进行了分离和表征。为了研究产物的固态结构中Te ··· S键与具有Te ··· X和X ···的相关化合物相比的重要性,使用了硫脲X键在其分子结构中。通过晶体学数据和计算方法的结合描述了不同类型的硫族元素-硫族元素,硫族元素-卤素和卤素-卤素之间的相互作用。通过非共价相互作用指数(NCI)和分子中原子的量子理论(QTAIM)分析来评估这些相互作用的性质。

更新日期:2020-10-13
down
wechat
bug