2018
DOI: 10.1021/acs.jpcb.8b00764
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Comparison of Electronic and Physicochemical Properties between Imidazolium-Based and Pyridinium-Based Ionic Liquids

Abstract: To compare 1-butyl-3-methylimidazolium ([BMIM])- and 1-butyl-3-methylpyridinium ([BMPy])-based ionic liquids (ILs) and investigate the influence of intramolecular and intermolecular interactions on physicochemical properties, a systematic study was performed on the electronic structures and physicochemical properties of [BMIM] tetrafluoroborate ([BMIM][BF]), [BMIM] hexafluorophosphate ([BMIM][PF]), [BMIM] hydrogen sulfate ([BMIM][HSO]), [BMIM] methylsulfate ([BMIM][MSO]), [BMIM] ethylsulfate ([BMIM][ESO]), [BM… Show more

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Cited by 13 publications
(8 citation statements)
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“…Small differences between imidazolium and pyridinium ILs are correlated with a delicate interplay of intermolecular interactions (vdW, HB, π−π stacking, and Coulombic interactions) among constituent ions and, in particular, electronic structures of cations. 427 In contrast, ILs containing nonaromatic cations only exhibit an increase in spectral intensities at the low-frequency region, while spectra at the high-frequency region show little change with increasing temperatures, indicating that the presence of aromatic rings influences temperature-dependent spectral features, especially at the high-frequency region.…”
Section: Ils Have Higher Volatilities and Lower Entropies Of Vaporiza...mentioning
confidence: 99%
“…Small differences between imidazolium and pyridinium ILs are correlated with a delicate interplay of intermolecular interactions (vdW, HB, π−π stacking, and Coulombic interactions) among constituent ions and, in particular, electronic structures of cations. 427 In contrast, ILs containing nonaromatic cations only exhibit an increase in spectral intensities at the low-frequency region, while spectra at the high-frequency region show little change with increasing temperatures, indicating that the presence of aromatic rings influences temperature-dependent spectral features, especially at the high-frequency region.…”
Section: Ils Have Higher Volatilities and Lower Entropies Of Vaporiza...mentioning
confidence: 99%
“…Ionic liquids (ILs) have been widely known and used as novel solvents, catalysts, electrolytes, and absorbents in various scientific fields. Because of the unique structure, ILs exhibit many attractive properties such as low-temperature melting points, broad liquid range, negligible vapor pressure, and nonflammability. …”
Section: Introductionmentioning
confidence: 99%
“…According to geometry analysis, anion−π + interactions are more common in [BMPy] + -based ILs than in [BMIM] + -based ILs. The harmonic oscillator measure of aromaticity (HOMA) values of [BMPy] + is closer to unity, further confirming the strong aromaticity in pyridium ring …”
Section: Resultsmentioning
confidence: 56%