Evidence for mesoscopic local structures in ionic liquids: CARS signal spatial distribution of Cnmim[PF6] (n=4,6,8)

Shigeto, Shinsuke; Hamaguchi, Hiro‐o

doi:10.1016/j.cplett.2006.07.004

Cited by 102 publications

(98 citation statements)

References 29 publications

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“…Because ILs are mixtures of cations and anions in nature and most ILs, particularly ILs containing an ion with a long alkyl group, consist of ionic and hydrophobic parts, the inhomogeneity could give bulk and microscopic interionic/intermolecular interactions that are different from those of neat liquids. Traces of inhomogeneity in ILs were reported in experiments (Triolo et al, 2007;Xiao et al, 2009;Shigeto & Hamaguchi, 2006), as well as MD simulations (Lopes et al, 2006;Wang & Voth, 2006). These natures of ILs surely provide more complicated microscopic features.…”

Section: Nonaromatic Ionic Liquidsmentioning

confidence: 99%

Atom Substitution Effects in Ionic Liquids: A Microscopic View by Femtosecond Raman-Induced Kerr Effect Spectroscopy

Shirota

Fukazawa

2011

Ionic Liquids: Theory, Properties, New Approaches

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Section: Nonaromatic Ionic Liquidsmentioning

confidence: 99%

Atom Substitution Effects in Ionic Liquids: A Microscopic View by Femtosecond Raman-Induced Kerr Effect Spectroscopy

Shirota

Fukazawa

2011

Ionic Liquids: Theory, Properties, New Approaches

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“…The existence of the cluster in some ILs was found by experiment and simulation, [41][42][43][44][45][46][47] which plays an important part in ILs-involving reactions and processes. Figure 3 …”

Section: Ion Cluster and Local Hydrogen Bond Networkmentioning

confidence: 99%

Influence of Microstructure and Interaction on Viscosity of Ionic Liquids

Zhang

Huo

Liu

et al. 2015

Ind. Eng. Chem. Res.

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High viscosity of ionic liquids (ILs) is one of the bottlenecks for its application in industry. Understanding the relationship between structure and viscosity is a key issue for directional designing ILs with low viscosity. In this work, the microstructures and interactions of three representative imidazolium-based ILs were studied by quantum chemistry calculations and molecular dynamics simulations in order to investigate the origin of different viscosity. An all-atom force field for difluorophosphate ([PO 2 F 2 ]) anion was developed. The sandwich structures of hydrogen bond network were observed. The relationship between the number/energy of hydrogen bond and viscosity was proposed. The sequence of interaction energy is consistent with the trend of experimental viscosity. The simulation studies suggest that the hydrogen bond and interaction energy play important roles in determination of the viscosity of ILs.

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“…Wide-angle X-ray scattering results on the [C 4 mim][I] room temperature ionic liquids show prominent peaks in the residual radial distribution curve [118], indicating certain periodical arrangements of the iodide anions. The existence of different rotamers and local structures has also been found by interpretation of results from optical heterodynedetected Raman-induced Kerr-effect spectroscopy (OHD-RIKES) [139], from neutron scattering and diffraction experiments versus temperature [111][112][113]140], from Coherent anti-Stokes Raman Scattering (CARS) [141] and by theoretical molecular dynamics calculations [43,47,[142][143][144]. The local structures may also lead to other unique properties of ionic liquids; for example, if magnetic anions are aligned in RTILs, novel magnetic liquids will be created [145,146].…”

Section: Conformational Equilibria In Liquids Versus Temperaturementioning

confidence: 99%

Raman Spectroscopy and Ab-Initio Model Calculations on Ionic Liquids

2007

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Summary.A review of the recent developments in the study and understanding of room temperature ionic liquids are given. An intimate picture of how and why these liquids are not crystals at ambient conditions is attempted, based on evidence from crystallographical results combined with vibrational spectroscopy and ab-initio molecular orbital calculations. A discussion is given, based mainly on some recent FT-Raman spectroscopic results on the model ionic liquid system of 1-butyl-3-methylimidazolium ([C 4 mim][X]) salts. The rotational isomerism of the [C 4 mim] þ cation is described: the presence of anti and gauche conformers that has been elucidated in remarkable papers by Hamaguchi et al. Such presence of a conformational equilibrium seems to be a general feature of the room temperature liquids. Then the ''localized structure features'' that apparently exist in ionic liquids are described. It is hoped that the structural resolving power of Raman spectroscopy will be appreciated by the reader. It is of remarkable use on crystals of known different conformations and on the corresponding liquids, especially in combination with modern quantum mechanics calculations. It is hoped that these interdisciplinary methods will be applied to many more systems in the future. A few examples will be discussed.

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Evidence for mesoscopic local structures in ionic liquids: CARS signal spatial distribution of Cnmim[PF6] (n=4,6,8)

Cited by 102 publications

References 29 publications

Atom Substitution Effects in Ionic Liquids: A Microscopic View by Femtosecond Raman-Induced Kerr Effect Spectroscopy

Atom Substitution Effects in Ionic Liquids: A Microscopic View by Femtosecond Raman-Induced Kerr Effect Spectroscopy

Influence of Microstructure and Interaction on Viscosity of Ionic Liquids

Raman Spectroscopy and Ab-Initio Model Calculations on Ionic Liquids

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