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Cation Translocation around Single Polyoxometalate–Organic Hybrid Cluster Regulated by Electrostatic and Cation–π Interactions
Author(s) -
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
Publication year - 2017
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201612008
Subject(s) - polyoxometalate , cluster (spacecraft) , counterion , chemical physics , chemistry , molecular dynamics , electrostatics , ion , spectroscopy , symmetry (geometry) , atom (system on chip) , crystallography , computational chemistry , physics , catalysis , organic chemistry , geometry , mathematics , computer science , programming language , quantum mechanics , embedded system
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.