Cation Translocation around Single Polyoxometalate-Organic Hybrid Cluster Regulated by Electrostatic and Cation-π Interactions
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.
- Authors:
-
[1];
- The Univ. of Akron, Akron OH (United States)
- Emory Univ., Atlanta, GA (United States)
- Lehigh Univ., Bethlehem, PA (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1388254
- Grant/Contract Number:
- SC0001089
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Angewandte Chemie
- Additional Journal Information:
- Journal Volume: 129; Journal Issue: 12; Related Information: MSA partners with University of Notre Dame (lead); University of California, Davis; Florida State University; George Washington University; University of Michigan; University of Minnesota; Oak Ridge National Laboratory; Oregon state University; Rensselaer Polytechnic Institute; Savannah River National Laboratory; Journal ID: ISSN 0044-8249
- Publisher:
- German Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; nuclear (including radiation effects); materials and chemistry by design; synthesis (novel materials); synthesis (self-assembly); Elektrostatische Wechselwirkungen; Kation-pi-Wechselwirkungen; Moleküldynamiksimulationen; NMR-Spektroskopie; Polyoxometallate
Citation Formats
Li, Dong, Liu, Zhuonan, Song, Jie, Li, Hui, Zhang, Baofang, Yin, Panchao, Zheng, Zhaoxiong Norm, Roberts, James E., Tsige, Mesfin, Hill, Craig L., and Liu, Tianbo. Cation Translocation around Single Polyoxometalate-Organic Hybrid Cluster Regulated by Electrostatic and Cation-π Interactions. United States: N. p., 2017.
Web. doi:10.1002/ange.201612008.
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. Cation Translocation around Single Polyoxometalate-Organic Hybrid Cluster Regulated by Electrostatic and Cation-π Interactions. United States. https://doi.org/10.1002/ange.201612008
Li, Dong, Liu, Zhuonan, Song, Jie, Li, Hui, Zhang, Baofang, Yin, Panchao, Zheng, Zhaoxiong Norm, Roberts, James E., Tsige, Mesfin, Hill, Craig L., and Liu, Tianbo. Wed .
"Cation Translocation around Single Polyoxometalate-Organic Hybrid Cluster Regulated by Electrostatic and Cation-π Interactions". United States. https://doi.org/10.1002/ange.201612008. https://www.osti.gov/servlets/purl/1388254.
@article{osti_1388254,
title = {Cation Translocation around Single Polyoxometalate-Organic Hybrid Cluster Regulated by Electrostatic and Cation-π Interactions},
author = {Li, Dong and Liu, Zhuonan and Song, Jie and Li, Hui and Zhang, Baofang and Yin, Panchao and Zheng, Zhaoxiong Norm and Roberts, James E. and Tsige, Mesfin and Hill, Craig L. and Liu, Tianbo},
abstractNote = {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.},
doi = {10.1002/ange.201612008},
journal = {Angewandte Chemie},
number = 12,
volume = 129,
place = {United States},
year = {Wed Feb 15 00:00:00 EST 2017},
month = {Wed Feb 15 00:00:00 EST 2017}
}
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