Beccaria Roberta, Dhaka Arun, Calabrese Miriam, Pizzi Andrea, Frontera Antonio, Resnati Giuseppe
NFMLab, Dept. Chemistry, Materials, and Chemical Engineering "Giulio Natta", Politecnico di Milano, Via L. Mancinelli 7, I-20131, Milano, Italy.
Dept. Chemistry, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122, Palma de Mallorca, Baleares, Spain.
Chemistry. 2024 Feb 7;30(8):e202303641. doi: 10.1002/chem.202303641. Epub 2023 Dec 18.
H-selenite anions (HSeO ) form in the solid unprecedented anionic supramolecular chains wherein single units are assembled via alternating short Se⋅⋅⋅O and H⋅⋅⋅O contacts. Crystallographic analyses and computational studies (the quantum theory of "atoms-in-molecules", QTAIM, and the noncovalent interaction plot, NCIPlot) consistently prove the attractive nature of these chalcogen bonds (ChBs) and hydrogen honds (HBs), the Janus-type character of HSeO anions which act as both donors and acceptors of ChB and HB, and the possible stability of anion dimers in solution. The effectiveness of the ChBs herein described may lead to consider the HSeO moiety as a new entry in the toolbox of crystal engineering based on ChB.
亚硒酸氢根阴离子（HSeO ）在固体中形成了前所未有的阴离子超分子链，其中单个单元通过交替的短Se⋅⋅⋅O和H⋅⋅⋅O接触组装而成。晶体学分析和计算研究（“分子中的原子”量子理论，QTAIM，以及非共价相互作用图，NCIPlot）一致证明了这些硫族元素键（ChBs）和氢键（HBs）的吸引力本质、HSeO 阴离子作为ChB和HB的供体和受体的两面神型特征，以及阴离子二聚体在溶液中的可能稳定性。本文所述的ChBs的有效性可能导致将HSeO 部分视为基于ChB的晶体工程工具箱中的一个新成员。
