Cation Translocation around Single Polyoxometalate–Organic Hybrid Cluster Regulated by Electrostatic and Cation–π Interactions. Issue 12 (15th February 2017)

• Record Type: Journal Article
• Authors: Li, Dong; Liu, Zhuonan; Song, Jie; Li, Hui; Zhang, Baofang; Yin, Panchao; Zheng, Zhaoxiong Norm; Roberts, James E.; Tsige, Mesfin; Hill, Craig L.; Liu, Tianbo
• Is Part Of: Angewandte Chemie international edition. Volume 56:Issue 12(2017)
• Page Start: 3294
• Page End: 3298
• Publication Date: 2017-02-15
• Subjects: cation–pi interactions -- electrostatic interactions -- polyoxometalates -- MD simulations -- NMR spectroscopy; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201612008
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract: We report herein an interesting dynamic translocation process of countercations around one polyoxometalate(POM)–organic hybrid anionic cluster at various concentrations and temperatures. It was found that both electrostatic interactions and cation–π interactions regulate the position of small countercations around single clusters. The dynamic geometry and the symmetry of the hybrid macroions are largely affected by the type of counterions, as shown by nuclear magnetic resonance (NMR) spectroscopy studies and all‐atom molecular dynamics simulation. It is also shown that electrostatic interactions dominate over cation–π interactions in determining the locations of the counterions in the current system. Abstract : Near and far : Spectroscopic and theoretical studies on the dynamic translocation process of countercations around a polyoxometalate–organic hybrid anionic molecular cluster show that electrostatic interactions and cation–π interactions regulate the position of small countercations around single clusters.