A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry

A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry
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一组全烷基化硫胍型碱基:用于仿生配位化学的新型前配体

DOI:
10.1016/j.ica.2015.03.015
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发表时间:
2015
影响因子:
2.8
通讯作者:
G. Henkel
G. Henkel
中科院分区:
化学3区
文献类型:
--
作者:
A. Neuba;M. Rohrmüller;R. Hölscher;W.G. Schmidt;G. Henkel

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合成并表征了一系列同时含有硫和氮给体功能的新型杂化分子。这些分子被设计用于仿生配位化学,预期作为多官能刘易斯碱直接或以特定前体作用作用于金属基刘易斯酸以形成具有生物相关性的络合物。它们的主要结构是基于连接胍部分与含硫醚或二硫化物部分的脂肪族或芳香族主链。基于非环状四甲基胍基单位和它们的环状二甲基乙基取代的对应物,这类化合物的46个成员的面板在这里提出。相关的齿数从二齿(N/S供体组)和三齿(N/N/S供体组)经由四齿(N/N/S/S供体组)延伸到五齿(N/N/N/S/S供体组)。这些新的系统的结构特征,并进行几何优化,使用密度泛函理论(DFT)。
A series of novel hybrid molecules containing sulfur and nitrogen donor functions simultaneously has been synthesized and characterized. Designed for use in biomimetic coordination chemistry, these molecules are expected to act directly or in specific precursor roles as polyfunctional Lewis bases towards metal-based Lewis acids to form complexes with biological relevance. Their principal architecture is based on aliphatic or aromatic backbones connecting guanidine moieties with sulfur-containing thioether or disulfide portions. Based on acyclic tetramethylguanidino units and their cyclic dimethylethyl-substituted counterparts, a panel of forty-six members of this class of compounds are presented here. The associated denticity extends from bidentate (N/S donor sets) and tridentate (N/N/S donor sets) via tetradentate (N/N/S/S donor sets) to pentadentate (N/N/N/S/S donor sets). Five of these novel systems were structurally characterized and subjected to geometry optimizations using density-functional theory (DFT).
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