硫基改善三唑基和三唑鎓基相互作用单元在阴离子结合中的性能。
Sulfur Groups Improve the Performance of Triazole- and Triazolium-Based Interaction Units in Anion Binding.
机构信息
Instituto de Química Orgánica General , Consejo Superior de Investigaciones Científicas (IQOG-CSIC), Juan de la Cierva 3, 28006-Madrid, Spain.
CAI de RMN y RSE, Universidad Complutense , 28040-Madrid, Spain.
出版信息
J Org Chem. 2017 Mar 17;82(6):3341-3346. doi: 10.1021/acs.joc.7b00261. Epub 2017 Feb 24.
An NMR comparative study of 1,2,3-triazole and triazolium anion recognition units containing sulfoxide, sulfone, and sulfoximine groups at C unveils an enhancement in binding ability up to ≈1 kcal/mol in acetone-d correlated with a theoretical increase of H acidity. DFT calculations provide insight into binding modes in line with experimental data for these receptors.
含有亚砜、砜和亚磺酰胺基团的 1,2,3-三唑和三唑翁阴离子识别单元的 NMR 对比研究表明，在丙酮-d 中，结合能力提高了约 1 kcal/mol，这与 H 酸度的理论增加相一致。DFT 计算为这些受体的实验数据提供了结合模式的深入了解。
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