| 代林林,聂长明.R/S-不对称硫取代铀酰-Salophen与手性吗啉醇的配位及对映选择性研究[J].南华大学学报(自然科学版),2020,34(4):72~79.[DAI Linlin,NIE Changming.Complexation and Enantioselectivity of R/S-asymmetric Sulfur-substituted Uranyl-salophens for Chiral Morpholinols[J].Journal of University of South China(Science and Technology),2020,34(4):72~79.] |
| R/S-不对称硫取代铀酰-Salophen与手性吗啉醇的配位及对映选择性研究 |
| Complexation and Enantioselectivity of R/S-asymmetric Sulfur-substituted Uranyl-salophens for Chiral Morpholinols |
| 投稿时间：2020-03-22 |
| DOI： |
| 中文关键词: R/S-不对称硫取代铀酰-salophen RRS/SSR-3,5-二甲基-2-(3-氟苯基)-2-吗啉醇 对映选择性识别 密度泛函理论 |
| 英文关键词:R/S-asymmetric sulfur-substituted uranyl-salophen RRS/SSR-3,5-dimethyl-2-(3-fluorophenyl)-2-morpholinols enantioselective recognition density functional theory |
| 基金项目:国家自然科学基金项目( 11275090;11475079);湖南省自然科学基金项目(2020JJ6049) |
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| 中文摘要: |
| 采用密度泛函理论对R/S-不对称硫取代铀酰-salophen进行研究,发现其存在Λ/V-型两种非对映异构体。以Λ/V-型两种非对映异构体为受体探讨了它们与客体分子RRS/SSR-3,5-二甲基-2-(3-氟苯基)-2-吗啉醇的配位作用以及对映选择性识别性能。 结果表明:由R/S-不对称硫取代铀酰-salophen的非对映异构体与客体分子所形成的配合物间的几何构型、Wiberg键序、红外光谱等参数差别不大,但在真空和水、丙酮、甲苯溶剂环境条件下,Λ/V-R型受体比Λ/V-S型受体对客体分子具有更好的对映选择性,且Λ-R型受体在真空和水、甲苯溶剂环境条件下,对客体分子具有良好的对映选择性识别性能。 |
| 英文摘要: |
| Using density functional theory(DFT) to explore the R/S-asymmetric sulfur-substituted uranyl-salophen,the study found the existence of two Λ/V-type diastereomers,and then used the two Λ/V-type diastereoisomers as receptors to investigate their coordination and enantioselective recognitions for guests of 3,5-dimethyl-2-(3-fluorophenyl)-2-morpholinols with RRS/SSR configurations.The results indicated that the parameters of geometric configuration,Wiberg bond order,and infrared spectrum of the coordination complexes formed by the diastereoisomers receptors of R/S-asymmetric sulfur-substituted uranyl-salophen with the guests were not significantly different,however,under vacuum and solvents(water,acetone and toluene),the Λ/V-R type receptors had better enantioselectivity for guests than the Λ/V-S type receptors,and the Λ-R type receptor exhibited better enantioselectivity for the guests especially in the case of vacuum and solvents of water and toluene. |
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