Conformational Analysis of Quaternary Ammonium-Type Ionic Liquid Cation, N,N-Diethyl-N-methyl-N-(2-methoxyethyl) Ammonium Cation
Joint Authors
Imai, Yusuke
Takekiyo, Takahiro
Yoshimura, Yukihiro
Abe, Hiroshi
Source
Advances in Physical Chemistry
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-08-23
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
Conformational preference of N,N-diethyl-N-methyl-N-(2-methoxyethyl) ammonium cation ([DEME]+), which is one of the quaternary ammonium-based ionic liquid cation, in the gas phase has been investigated using a density functional theory (DFT) calculation.
Eight candidates for the stable conformers of [DEME]+ exist in the gas phase, and can it energetically classify into two groups.
One is a five conformers group, which has the N+⋯O− intramolecular attractive interaction form (the folded form).
The other is a three conformers group, which is the noninteraction form (the extended form).
The transformation from the folded form to the extended form induces large changes in the dipole moment and partial charges of N and O atoms.
Here we show that the difference in the dipole moment and partial charges of N and O atoms associated with the conformational change of [DEME]+ are closely related to the molecular orientation of [DEME]-based ionic liquids in the liquid state.
American Psychological Association (APA)
Takekiyo, Takahiro& Imai, Yusuke& Abe, Hiroshi& Yoshimura, Yukihiro. 2012. Conformational Analysis of Quaternary Ammonium-Type Ionic Liquid Cation, N,N-Diethyl-N-methyl-N-(2-methoxyethyl) Ammonium Cation. Advances in Physical Chemistry،Vol. 2012, no. 2012, pp.1-7.
https://search.emarefa.net/detail/BIM-501495
Modern Language Association (MLA)
Takekiyo, Takahiro…[et al.]. Conformational Analysis of Quaternary Ammonium-Type Ionic Liquid Cation, N,N-Diethyl-N-methyl-N-(2-methoxyethyl) Ammonium Cation. Advances in Physical Chemistry No. 2012 (2012), pp.1-7.
https://search.emarefa.net/detail/BIM-501495
American Medical Association (AMA)
Takekiyo, Takahiro& Imai, Yusuke& Abe, Hiroshi& Yoshimura, Yukihiro. Conformational Analysis of Quaternary Ammonium-Type Ionic Liquid Cation, N,N-Diethyl-N-methyl-N-(2-methoxyethyl) Ammonium Cation. Advances in Physical Chemistry. 2012. Vol. 2012, no. 2012, pp.1-7.
https://search.emarefa.net/detail/BIM-501495
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-501495