Solvation Mechanism of Task-Specific Ionic Liquids in Water: A Combined Investigation Using Classical Molecular Dynamics and Density Functional Theory

The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C20H28N3O3]+ and different anions, bromide-[Br]− and bis­(trifluoromethylsulfonyl)­amide-[NTF2]−, in water is examined, computationally. These amino acid functionalized ionic li...

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Published inThe journal of physical chemistry. B Vol. 119; no. 40; pp. 12894 - 12904
Main Authors Yuvaraj, Surya V. J, Zhdanov, Ravil K, Belosludov, Rodion V, Belosludov, Vladimir R, Subbotin, Oleg S, Kanie, Kiyoshi, Funaki, Kenji, Muramatsu, Atsushi, Nakamura, Takashi, Kawazoe, Yoshiyuki
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Published United States American Chemical Society 08.10.2015
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Abstract The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C20H28N3O3]+ and different anions, bromide-[Br]− and bis­(trifluoromethylsulfonyl)­amide-[NTF2]−, in water is examined, computationally. These amino acid functionalized ionic liquids (ILs) are taken into account because of their ability to react with rare earth metal salts. It has been noted that the TSIL with [Br]− is more soluble than its counterpart TSIL with [NTF2]−, experimentally. In this theoretical work, the combined classical molecular dynamics (CMD) and density functional theory (DFT) calculations are performed to study the behavior of the bulk phase of these two TSILs in the vicinity of water (H2O) molecules with different concentrations. Initially, all the constructed systems are equilibrated using the CMD method. The final structures of the equilibrated systems are extracted for DFT calculations. Under CMD operation, the radial distribution function (RDF) plots and viscosity of TSILs are analyzed to understand the effect of water on TSILs. In the DFT regime, binding energy per H2O, charge transfer, charge density mapping, and electronic density of states (EDOS) analyses are done. The CMD results along with the DFT results are consolidated to support the hydrophilic and hydrophobic nature of the TSILs. Interestingly, we have found a strong correlation between the viscosity and the EDOS results that leads to an understanding of the hydration properties of the TSILs.
AbstractList The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C sub(20)H sub(28)N sub(3)O sub(3)] super(+) and different anions, bromide-[Br] super(-) and bis(trifluoromethylsulfonyl)amide-[NTF sub(2)] super(-), in water is examined, computationally. These amino acid functionalized ionic liquids (ILs) are taken into account because of their ability to react with rare earth metal salts. It has been noted that the TSIL with [Br] super(-) is more soluble than its counterpart TSIL with [NTF sub(2)] super(-), experimentally. In this theoretical work, the combined classical molecular dynamics (CMD) and density functional theory (DFT) calculations are performed to study the behavior of the bulk phase of these two TSILs in the vicinity of water (H sub(2)O) molecules with different concentrations. Initially, all the constructed systems are equilibrated using the CMD method. The final structures of the equilibrated systems are extracted for DFT calculations. Under CMD operation, the radial distribution function (RDF) plots and viscosity of TSILs are analyzed to understand the effect of water on TSILs. In the DFT regime, binding energy per H sub(2)O, charge transfer, charge density mapping, and electronic density of states (EDOS) analyses are done. The CMD results along with the DFT results are consolidated to support the hydrophilic and hydrophobic nature of the TSILs. Interestingly, we have found a strong correlation between the viscosity and the EDOS results that leads to an understanding of the hydration properties of the TSILs.
The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C20H28N3O3]+ and different anions, bromide-[Br]− and bis­(trifluoromethylsulfonyl)­amide-[NTF2]−, in water is examined, computationally. These amino acid functionalized ionic liquids (ILs) are taken into account because of their ability to react with rare earth metal salts. It has been noted that the TSIL with [Br]− is more soluble than its counterpart TSIL with [NTF2]−, experimentally. In this theoretical work, the combined classical molecular dynamics (CMD) and density functional theory (DFT) calculations are performed to study the behavior of the bulk phase of these two TSILs in the vicinity of water (H2O) molecules with different concentrations. Initially, all the constructed systems are equilibrated using the CMD method. The final structures of the equilibrated systems are extracted for DFT calculations. Under CMD operation, the radial distribution function (RDF) plots and viscosity of TSILs are analyzed to understand the effect of water on TSILs. In the DFT regime, binding energy per H2O, charge transfer, charge density mapping, and electronic density of states (EDOS) analyses are done. The CMD results along with the DFT results are consolidated to support the hydrophilic and hydrophobic nature of the TSILs. Interestingly, we have found a strong correlation between the viscosity and the EDOS results that leads to an understanding of the hydration properties of the TSILs.
The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C20H28N3O3](+) and different anions, bromide-[Br](-) and bis(trifluoromethylsulfonyl)amide-[NTF2](-), in water is examined, computationally. These amino acid functionalized ionic liquids (ILs) are taken into account because of their ability to react with rare earth metal salts. It has been noted that the TSIL with [Br](-) is more soluble than its counterpart TSIL with [NTF2](-), experimentally. In this theoretical work, the combined classical molecular dynamics (CMD) and density functional theory (DFT) calculations are performed to study the behavior of the bulk phase of these two TSILs in the vicinity of water (H2O) molecules with different concentrations. Initially, all the constructed systems are equilibrated using the CMD method. The final structures of the equilibrated systems are extracted for DFT calculations. Under CMD operation, the radial distribution function (RDF) plots and viscosity of TSILs are analyzed to understand the effect of water on TSILs. In the DFT regime, binding energy per H2O, charge transfer, charge density mapping, and electronic density of states (EDOS) analyses are done. The CMD results along with the DFT results are consolidated to support the hydrophilic and hydrophobic nature of the TSILs. Interestingly, we have found a strong correlation between the viscosity and the EDOS results that leads to an understanding of the hydration properties of the TSILs.
Author Yuvaraj, Surya V. J
Belosludov, Vladimir R
Kawazoe, Yoshiyuki
Muramatsu, Atsushi
Kanie, Kiyoshi
Belosludov, Rodion V
Nakamura, Takashi
Zhdanov, Ravil K
Subbotin, Oleg S
Funaki, Kenji
AuthorAffiliation Institute for Materials Research
Nikolaev Institute of Inorganic Chemistry
New Industry Creation Hatchery Center
Institute of Multidisciplinary Research for Advanced Materials
SB RAS
Tohoku University
Institute of Thermophysics
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Cites_doi 10.1002/jctb.1333
10.1021/ac010061v
10.1016/0021-9991(77)90098-5
10.1103/PhysRevB.50.17953
10.1103/PhysRevB.59.1758
10.1039/c2dt30089c
10.1063/1.1883163
10.1021/ie000426m
10.1021/ja9621760
10.1021/jp206974h
10.1016/j.jct.2005.03.013
10.1006/jcph.1995.1039
10.1515/hf.2011.072
10.1016/j.molliq.2013.08.015
10.1039/c0gc00200c
10.1021/jp067142l
10.1002/pssb.201248547
10.1016/S0360-0564(05)49003-3
10.1039/c3cp44214d
10.1021/jp108189z
10.1039/a902818h
10.1021/cr050979c
10.1103/PhysRevB.47.558
10.1021/jp8108368
10.1039/c2cp42975f
10.1021/jp305379s
10.1246/cl.2004.1072
10.1039/b103275p
10.1021/jp1012736
10.1021/jp503029d
10.1016/j.molliq.2014.10.028
10.1016/j.fluid.2008.04.009
10.1063/1.3697977
10.1016/j.commatsci.2005.04.010
10.1021/jp202692g
10.1039/c0gc00716a
10.1021/jp3080496
10.1021/jp0362133
10.1039/a806169f
10.1021/ac010263r
10.1080/00268970902810283
10.1016/S0022-1139(99)00267-5
10.1016/j.fluid.2010.02.034
10.1039/b008041l
10.1016/j.jorganchem.2005.07.115
10.1039/c4tc00864b
10.1149/2.F06071IF
10.1021/ic9025574
10.1039/b906273d
10.1039/b104349h
10.1021/jp4113552
10.1103/PhysRevB.54.11169
10.1016/j.ccr.2004.04.015
10.1016/0263-7855(96)00018-5
10.1021/jp510843m
10.1103/PhysRevE.59.4894
10.1002/1522-2683(200202)23:3<426::AID-ELPS426>3.0.CO;2-8
10.1021/jp5095239
10.1063/1.3430561
10.1063/1.2121687
10.1366/000370203321535051
10.1021/jz4005366
10.13005/ojc/290402
10.1039/c1gc15410a
10.1039/c1cc10575b
10.1039/c1cp21139k
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References ref9/cit9
ref63/cit63b
ref45/cit45
ref3/cit3
ref27/cit27
ref63/cit63a
ref16/cit16
ref52/cit52
ref23/cit23
ref8/cit8
ref31/cit31
ref59/cit59
ref2/cit2
ref34/cit34
ref37/cit37
Seddon K. R. (ref1/cit1) 1999
ref20/cit20
ref48/cit48
ref60/cit60
ref17/cit17
ref10/cit10
ref62/cit62a
ref35/cit35
ref19/cit19
ref21/cit21
ref42/cit42
ref46/cit46
ref62/cit62b
ref49/cit49
ref13/cit13
Dyson P. J. (ref5/cit5) 2007
ref61/cit61
ref67/cit67
ref56/cit56a
ref24/cit24
ref38/cit38
ref56/cit56b
ref50/cit50
ref64/cit64
ref54/cit54
ref6/cit6
ref36/cit36
ref18/cit18
ref65/cit65
ref11/cit11
ref25/cit25
ref29/cit29
ref32/cit32
ref39/cit39
Hockney R. W. (ref53/cit53) 1981
ref14/cit14
ref57/cit57
ref51/cit51
ref43/cit43
ref28/cit28
ref40/cit40
ref26/cit26
ref55/cit55
ref12/cit12
ref15/cit15
ref66/cit66
ref41/cit41
ref58/cit58
ref22/cit22
ref33/cit33
ref4/cit4
ref30/cit30
ref47/cit47
ref44/cit44
ref7/cit7
References_xml – ident: ref22/cit22
  doi: 10.1002/jctb.1333
– ident: ref25/cit25
  doi: 10.1021/ac010061v
– ident: ref57/cit57
  doi: 10.1016/0021-9991(77)90098-5
– ident: ref63/cit63a
  doi: 10.1103/PhysRevB.50.17953
– ident: ref63/cit63b
  doi: 10.1103/PhysRevB.59.1758
– ident: ref15/cit15
  doi: 10.1039/c2dt30089c
– ident: ref60/cit60
  doi: 10.1063/1.1883163
– ident: ref24/cit24
  doi: 10.1021/ie000426m
– ident: ref56/cit56a
  doi: 10.1021/ja9621760
– ident: ref33/cit33
  doi: 10.1021/jp206974h
– ident: ref66/cit66
  doi: 10.1016/j.jct.2005.03.013
– ident: ref52/cit52
  doi: 10.1006/jcph.1995.1039
– ident: ref18/cit18
  doi: 10.1515/hf.2011.072
– ident: ref41/cit41
  doi: 10.1016/j.molliq.2013.08.015
– ident: ref17/cit17
  doi: 10.1039/c0gc00200c
– ident: ref40/cit40
  doi: 10.1021/jp067142l
– ident: ref6/cit6
  doi: 10.1002/pssb.201248547
– ident: ref4/cit4
  doi: 10.1016/S0360-0564(05)49003-3
– ident: ref48/cit48
  doi: 10.1039/c3cp44214d
– ident: ref39/cit39
  doi: 10.1021/jp108189z
– ident: ref8/cit8
  doi: 10.1039/a902818h
– ident: ref2/cit2
  doi: 10.1021/cr050979c
– ident: ref62/cit62a
  doi: 10.1103/PhysRevB.47.558
– ident: ref34/cit34
  doi: 10.1021/jp8108368
– ident: ref32/cit32
  doi: 10.1039/c2cp42975f
– ident: ref45/cit45
  doi: 10.1021/jp305379s
– ident: ref26/cit26
  doi: 10.1246/cl.2004.1072
– ident: ref23/cit23
  doi: 10.1039/b103275p
– ident: ref44/cit44
  doi: 10.1021/jp1012736
– ident: ref47/cit47
  doi: 10.1021/jp503029d
– ident: ref30/cit30
  doi: 10.1016/j.molliq.2014.10.028
– ident: ref42/cit42
  doi: 10.1016/j.fluid.2008.04.009
– ident: ref59/cit59
  doi: 10.1063/1.3697977
– ident: ref64/cit64
  doi: 10.1016/j.commatsci.2005.04.010
– ident: ref38/cit38
  doi: 10.1021/jp202692g
– ident: ref14/cit14
  doi: 10.1039/c0gc00716a
– ident: ref19/cit19
  doi: 10.1021/jp3080496
– ident: ref55/cit55
  doi: 10.1021/jp0362133
– start-page: 131
  volume-title: The International George Papatheodorou Symposium: Proceedings
  year: 1999
  ident: ref1/cit1
  contributor:
    fullname: Seddon K. R.
– ident: ref7/cit7
  doi: 10.1039/a806169f
– ident: ref10/cit10
  doi: 10.1021/ac010263r
– ident: ref35/cit35
  doi: 10.1080/00268970902810283
– ident: ref9/cit9
  doi: 10.1016/S0022-1139(99)00267-5
– ident: ref43/cit43
  doi: 10.1016/j.fluid.2010.02.034
– ident: ref13/cit13
  doi: 10.1039/b008041l
– ident: ref28/cit28
  doi: 10.1016/j.jorganchem.2005.07.115
– ident: ref67/cit67
– ident: ref21/cit21
  doi: 10.1039/c4tc00864b
– start-page: 50
  year: 2007
  ident: ref5/cit5
  publication-title: Electrochem. Soc. Interface
  doi: 10.1149/2.F06071IF
  contributor:
    fullname: Dyson P. J.
– volume-title: Computer Simulation Using Particles
  year: 1981
  ident: ref53/cit53
  contributor:
    fullname: Hockney R. W.
– ident: ref65/cit65
  doi: 10.1021/ic9025574
– ident: ref20/cit20
  doi: 10.1039/b906273d
– ident: ref12/cit12
  doi: 10.1039/b104349h
– ident: ref49/cit49
  doi: 10.1021/jp4113552
– ident: ref62/cit62b
  doi: 10.1103/PhysRevB.54.11169
– ident: ref3/cit3
  doi: 10.1016/j.ccr.2004.04.015
– ident: ref54/cit54
  doi: 10.1016/0263-7855(96)00018-5
– ident: ref50/cit50
  doi: 10.1021/jp510843m
– ident: ref61/cit61
  doi: 10.1103/PhysRevE.59.4894
– ident: ref56/cit56b
– ident: ref11/cit11
  doi: 10.1002/1522-2683(200202)23:3<426::AID-ELPS426>3.0.CO;2-8
– ident: ref51/cit51
  doi: 10.1021/jp5095239
– ident: ref36/cit36
  doi: 10.1063/1.3430561
– ident: ref58/cit58
  doi: 10.1063/1.2121687
– ident: ref31/cit31
  doi: 10.1366/000370203321535051
– ident: ref27/cit27
  doi: 10.1021/jz4005366
– ident: ref16/cit16
  doi: 10.13005/ojc/290402
– ident: ref29/cit29
  doi: 10.1039/c1gc15410a
– ident: ref37/cit37
  doi: 10.1039/c1cc10575b
– ident: ref46/cit46
  doi: 10.1039/c1cp21139k
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Snippet The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C20H28N3O3]+ and different anions,...
The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C20H28N3O3](+) and different anions,...
The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C sub(20)H sub(28)N sub(3)O sub(3)]...
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pubmed
acs
SourceType Aggregation Database
Index Database
Publisher
StartPage 12894
SubjectTerms Balancing
Dynamical systems
Dynamics
Ionic liquids
Mathematical analysis
Molecular dynamics
Solvation
Viscosity
Title Solvation Mechanism of Task-Specific Ionic Liquids in Water: A Combined Investigation Using Classical Molecular Dynamics and Density Functional Theory
URI http://dx.doi.org/10.1021/acs.jpcb.5b05945
https://www.ncbi.nlm.nih.gov/pubmed/26366529
https://search.proquest.com/docview/1721351536
https://search.proquest.com/docview/1770290369
Volume 119
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