Anion pairs in room temperature ionic liquids predicted by molecular dynamics simulation, verified by spectroscopic characterization?
RSC Advances Pub Date: 2013-12-16 DOI: 10.1039/C3RA46069J
Abstract
Molecular-level spectroscopic analyses of an aprotic and a protic room-temperature ionic liquid, BMIM OTf and BMIM HSO4, respectively, have been carried out with the aim of verifying molecular dynamics simulations that predict anion pair formation in these fluid structures. Fourier-transform infrared spectroscopy, Raman spectroscopy and nuclear magnetic resonance spectroscopy of various nuclei support the theoretically-determined average molecular arrangements.
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Journal Name：RSC Advances
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CAS no.: 89640-58-4
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