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- W4285389600 endingPage "5533" @default.
- W4285389600 startingPage "5523" @default.
- W4285389600 abstract "We have monitored the impacts of an increment in the alkyl chain length of the imidazolium-based tetrafluoroborate ionic liquids on the local deuteroxyl probe modes of interest. For this study, we have taken 1-ethyl-3-methylimidazolium tetrafluoroborate [EMIm][BF4], 1-butyl-3-methylimidazolium tetrafluoroborate [BMIm][BF4], 1-octyl-3-methylimidazolium tetrafluoroborate [OMIm][BF4], and 1-decyl-3-methylimidazolium tetrafluoroborate [DMIm][BF4] ionic liquid solutions with 5% HOD in H2O as the vibrational reporter of the associated ultrafast system dynamics. Classical molecular dynamics (MD) simulations were employed to determine molecular structure and dynamic properties, while the spectral profiles were derived by applying the wavelet analysis of classical trajectories. Spatial distribution functions reveal the heterogeneity within the molecular structures of the ionic liquids (ILs) with varying alkyl chain lengths. The intense position of the spectral peak, the frequency corresponding to the shoulder peak, and the spectral linewidth of the O–D stretch distribution are not influenced by the increment in the cationic chain length. In addition, the ionic liquid (IL) [BMIm][BF4] exhibits a notable trend; the dynamic timescales are longer than the other studied systems. Therefore, we have performed the Voronoi decomposition analysis of the ionic and the polar–apolar domains, symmetrically increasing the length of alkyl chains on the IL cations. Domain analysis reveals structural microheterogeneity; the anions form discrete domains, and the ionic liquid constituting cations form continuous domains irrespective of the alkyl chain length on the imidazolium cations. Therefore, this computational ultrafast spectroscopy study aids in forming a molecular-level picture of the ionic liquid cations and anions in the liquid phase, providing a detailed interpretation of the spectral properties of the probe stretching vibrations." @default.
- W4285389600 created "2022-07-14" @default.
- W4285389600 creator A5002753212 @default.
- W4285389600 creator A5078031554 @default.
- W4285389600 date "2022-07-14" @default.
- W4285389600 modified "2023-09-26" @default.
- W4285389600 title "Microheterogeneity-Induced Vibrational Spectral Dynamics of Aqueous 1-Alkyl-3-methylimidazolium Tetrafluoroborate Ionic Liquids of Different Cationic Chain Lengths" @default.
- W4285389600 cites W1031578623 @default.
- W4285389600 cites W1815678250 @default.
- W4285389600 cites W1883779550 @default.
- W4285389600 cites W1938350746 @default.
- W4285389600 cites W1963922459 @default.
- W4285389600 cites W1968666708 @default.
- W4285389600 cites W1968751911 @default.
- W4285389600 cites W1970625505 @default.
- W4285389600 cites W1975762035 @default.
- W4285389600 cites W1976828803 @default.
- W4285389600 cites W1976907911 @default.
- W4285389600 cites W1977036540 @default.
- W4285389600 cites W1977854765 @default.
- W4285389600 cites W1980190356 @default.
- W4285389600 cites W1981021420 @default.
- W4285389600 cites W1981885058 @default.
- W4285389600 cites W1985515789 @default.
- W4285389600 cites W1985801856 @default.
- W4285389600 cites W1991010825 @default.
- W4285389600 cites W1995645617 @default.
- W4285389600 cites W1995863104 @default.
- W4285389600 cites W1996021349 @default.
- W4285389600 cites W1996619573 @default.
- W4285389600 cites W1997020638 @default.
- W4285389600 cites W1999451860 @default.
- W4285389600 cites W2003949305 @default.
- W4285389600 cites W2007988111 @default.
- W4285389600 cites W2013478319 @default.
- W4285389600 cites W2018030636 @default.
- W4285389600 cites W2021908094 @default.
- W4285389600 cites W2024503373 @default.
- W4285389600 cites W2025768791 @default.
- W4285389600 cites W2029321366 @default.
- W4285389600 cites W2029916629 @default.
- W4285389600 cites W2030429141 @default.
- W4285389600 cites W2030841140 @default.
- W4285389600 cites W2035473765 @default.
- W4285389600 cites W2035687084 @default.
- W4285389600 cites W2036254835 @default.
- W4285389600 cites W2036287425 @default.
- W4285389600 cites W2039808319 @default.
- W4285389600 cites W2040020956 @default.
- W4285389600 cites W2043154200 @default.
- W4285389600 cites W2043386916 @default.
- W4285389600 cites W2045288787 @default.
- W4285389600 cites W2048329969 @default.
- W4285389600 cites W2050636511 @default.
- W4285389600 cites W2053010217 @default.
- W4285389600 cites W2054748396 @default.
- W4285389600 cites W2055142084 @default.
- W4285389600 cites W2057477511 @default.
- W4285389600 cites W2057831874 @default.
- W4285389600 cites W2057944173 @default.
- W4285389600 cites W2057955748 @default.
- W4285389600 cites W2061629461 @default.
- W4285389600 cites W2061776255 @default.
- W4285389600 cites W2062633203 @default.
- W4285389600 cites W2064572842 @default.
- W4285389600 cites W2064860068 @default.
- W4285389600 cites W2065024506 @default.
- W4285389600 cites W2067174909 @default.
- W4285389600 cites W2069154222 @default.
- W4285389600 cites W2069507544 @default.
- W4285389600 cites W2069684069 @default.
- W4285389600 cites W2071638281 @default.
- W4285389600 cites W2073968024 @default.
- W4285389600 cites W2074534651 @default.
- W4285389600 cites W2076839380 @default.
- W4285389600 cites W2078540950 @default.
- W4285389600 cites W2080116234 @default.
- W4285389600 cites W2080185150 @default.
- W4285389600 cites W2082032735 @default.
- W4285389600 cites W2082292248 @default.
- W4285389600 cites W2084098870 @default.
- W4285389600 cites W2087606762 @default.
- W4285389600 cites W2088512874 @default.
- W4285389600 cites W2090441737 @default.
- W4285389600 cites W2092948839 @default.
- W4285389600 cites W2095319504 @default.
- W4285389600 cites W2096684483 @default.
- W4285389600 cites W2098432400 @default.
- W4285389600 cites W2098644398 @default.
- W4285389600 cites W2100906202 @default.
- W4285389600 cites W2113239633 @default.
- W4285389600 cites W2116880413 @default.
- W4285389600 cites W2126383912 @default.
- W4285389600 cites W2128572087 @default.
- W4285389600 cites W2149529318 @default.
- W4285389600 cites W2153522996 @default.
- W4285389600 cites W2153860057 @default.
- W4285389600 cites W2156299576 @default.