Chalcogen Bonds in Crystals of Bis(o-anilinium)diselenide Salts

Scilabra Patrick; Murray Jane S.; Terraneo Giancarlo; Resnati Giuseppe

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Chalcogen Bonds in Crystals of Bis(o-anilinium)diselenide Salts

机译：双（O-苯内骨）晶体晶体中的硫致原键

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The diselenide moiety is labeled as a novel and robust chalcogen bond (ChB) donor group. The molecular electrostatic potential of two prototype diselenide derivatives shows the presence of two sigma-holes along both the covalent bonds in which each selenium atom is involved. The propensity of selenium atoms of diselenides to work as electrophilic sites is confirmed by computational studies on the bis(o-anilinium)diselenide cation, and single crystal X-ray analysis of salts of this cation reveals the presence of close selenium center dot center dot center dot anion contacts. Comparison with halogen bonds in crystal structures of ionic lambda(3)-iodane derivatives supports the rationalization of these close contacts as charge-assisted ChBs. Discrete adducts or two-dimensional networks are formed, suggesting the profitable use of the diselenide moiety in ChB based crystal engineering.

机译：酶促部分标记为新颖且强大的硫代胆粘接剂（CHB）供体组。两个原型五烯化胺衍生物的分子静电电位显示沿着每个硒原子的共价键的存在两种σ孔。通过对亲电子位点进行亲电子位点的硒原子的培养基倾向通过对BIS（O-苯内骨）的化粘合剂的计算研究来证实，并且该阳离子的单晶X射线分析显示出密切硒中心点中心点的存在中心点阴离子触点。与离子λ（3） - 碘衍生物的晶体结构中卤素键的比较支持这些密切触点的合理化为电荷辅助CHB。形成离散加合物或二维网络，表明在基于CHB的CHB的晶体工程中的酶促部分的利润使用。

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《Crystal growth & design》 |2019年第2期|共6页
作者
Scilabra Patrick; Murray Jane S.; Terraneo Giancarlo; Resnati Giuseppe;
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Politecn Milan Dept Chem Mat &

Chem Engn Giulio Natta Via Mancinelli 7 I-20131 Milan Italy;

Univ New Orleans Dept Chem New Orleans LA 70148 USA;

Politecn Milan Dept Chem Mat &

Chem Engn Giulio Natta Via Mancinelli 7 I-20131 Milan Italy;

Politecn Milan Dept Chem Mat &

Chem Engn Giulio Natta Via Mancinelli 7 I-20131 Milan Italy;

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正文语种 eng
中图分类晶体学;
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Chalcogen Bonds in Crystals of Bis(o-anilinium)diselenide Salts

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