State Key Laboratory of Elemento-Organic Chemistry, College of Chemistry, Collaborative Innovation Center of Chemical Science and Engineering, Nankai University , Tianjin 300071, China.
J Org Chem. 2017 Aug 18;82(16):8662-8667. doi: 10.1021/acs.joc.7b01634. Epub 2017 Aug 7.
A series of novel N-tert-butyl sulfinyl squaramide receptors have been designed and synthesized. Their interactions with a range of inorganic anions were studied in solution by H NMR spectroscopy. This new type of squaramide displayed better anion-binding abilities over conventional diphenyl squaramides. The single crystal analysis and DFT calulations implied the role of the tert-butyl C-H protons in binding Cl. The energies of C-H···Cl interactions were estimated to be 1.4-1.6 kcal/mol in solution.
设计并合成了一系列新型的 N-叔丁基亚磺酰基硫代双酰胺受体。通过核磁共振波谱法研究了它们在溶液中与一系列无机阴离子的相互作用。与传统的二苯基硫代双酰胺相比，这种新型的硫代双酰胺显示出更好的阴离子结合能力。单晶分析和 DFT 计算表明，叔丁基 C-H 质子在结合 Cl 方面发挥了作用。在溶液中，C-H···Cl 相互作用的能量估计为 1.4-1.6 kcal/mol。
