Source:http://linkedlifedata.com/resource/pubmed/id/20146513
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
8
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pubmed:dateCreated |
2010-2-25
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pubmed:abstractText |
Attenuated total reflection infrared spectroscopy and density functional theory calculation have been employed to study the spectral properties of imidazolium-based ionic liquids (ILs) with different anions. ILs based on 1-butyl-3-methylimidazolium cation with different anions, OH(-), CF(3)CO(2)(-), HSO(4)(-), H(2)PO(4)(-), Cl(-), PF(6)(-), and BF(4)(-), are investigated in the present work. It has been shown that the C(2)-H stretching vibration of the imidazolium ring is closely related to the electron density of H-bonding between the two closest cations and anions for pure ILs. The electron density of H-bonding between cation and anion with different anions decreases in the order [OH](-) > [H(2)PO(4)](-) > [HSO(4)](-) > [CF(3)CO(2)](-) > [Cl](-) > [BF(4)](-) > [PF(6)](-). For aqueous ILs, with increasing water content, the aromatic C-H stretching vibration of the imidazolium cation showed systematic blue-shifts. Especially for BmimOH, the nu(C(2))(-H) undergoes a drastic blue-shift by 58 cm(-1), suggesting that the formation of the strong hydrogen bonds O-H...O may greatly weaken the electron density of H-bonding between the cation and anion of ILs.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical |
http://linkedlifedata.com/resource/pubmed/chemical/1-butyl-3-methylimidazolium,
http://linkedlifedata.com/resource/pubmed/chemical/Anions,
http://linkedlifedata.com/resource/pubmed/chemical/Cations,
http://linkedlifedata.com/resource/pubmed/chemical/Imidazoles,
http://linkedlifedata.com/resource/pubmed/chemical/Ionic Liquids
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pubmed:status |
MEDLINE
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pubmed:month |
Mar
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pubmed:issn |
1520-5207
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pubmed:author | |
pubmed:issnType |
Electronic
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pubmed:day |
4
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pubmed:volume |
114
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
2828-33
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pubmed:meshHeading |
pubmed-meshheading:20146513-Anions,
pubmed-meshheading:20146513-Cations,
pubmed-meshheading:20146513-Computer Simulation,
pubmed-meshheading:20146513-Electrons,
pubmed-meshheading:20146513-Hydrogen Bonding,
pubmed-meshheading:20146513-Imidazoles,
pubmed-meshheading:20146513-Ionic Liquids,
pubmed-meshheading:20146513-Models, Chemical
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pubmed:year |
2010
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pubmed:articleTitle |
Probing electron density of H-bonding between cation-anion of imidazolium-based ionic liquids with different anions by vibrational spectroscopy.
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pubmed:affiliation |
Department of Chemistry, Zhejiang University, Hangzhou 310027, PR China.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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