Liquid/liquid interface layering of 1-butanol and [bmim]PF6 ionic liquid: a nonlinear vibrational spectroscopy and molecular dynamics simulation study

2015 ◽  
Vol 17 (38) ◽  
pp. 24587-24597 ◽  
Author(s):  
Takashi Iwahashi ◽  
Tatsuya Ishiyama ◽  
Yasunari Sakai ◽  
Akihiro Morita ◽  
Doseok Kim ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Vibrational Spectroscopy ◽  
Simulation Study ◽  
Md Simulation ◽  
Liquid Interface ◽  
Dynamics Simulation ◽  
Simulation Studies

IV-SFG vibrational spectroscopy and MD simulation studies reveal a local polar/nonpolar layering structure at the interface of 1-butanol-d9 and 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim]PF6).

Bi-layering at ionic liquid surfaces: a sum-frequency generation vibrational spectroscopy- and molecular dynamics simulation-based study

2020 ◽  
Vol 22 (22) ◽  
pp. 12565-12576
Author(s):  
Takashi Iwahashi ◽  
Tatsuya Ishiyama ◽  
Yasunari Sakai ◽  
Akihiro Morita ◽  
Doseok Kim ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Vibrational Spectroscopy ◽  
Md Simulation ◽  
Layer Structure ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Sum Frequency ◽  
Simulation Based ◽  
Liquid Surfaces

IV-SFG vibrational spectroscopy and MD simulation studies successfully demonstrate the presence of a “head-to-head” bi-layer structure at ionic liquid surfaces.

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