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Hindawi Publishing Corporation Advances in Physical Chemistry Volume 2012, Article ID 829523, 7 pages doi:10.1155/2012/829523 Research Article Conformational Analysis of Quaternary Ammonium-Type Ionic Liquid Cation, N,N -Diethyl-N -methyl-N -(2-methoxyethyl) Ammonium Cation Takahiro Takekiyo,1 Yusuke Imai,2 Hiroshi Abe,2 and Yukihiro Yoshimura1 1 Department of Applied Chemistry, National Defense Academy, 1-10-20, Hashirimizu, Yokosuka, Kanagawa 239-8686, Japan 2 Department of Materials Science and Engineering, National Defense Academy, 1-10-20, Hashirimizu, Yokosuka, Kanagawa 239-8686, Japan Correspondence should be addressed to Takahiro Takekiyo, take214@nda.ac.jp Received 17 April 2012; Accepted 13 June 2012 Academic Editor: Ranko Richert Copyright © 2012 Takahiro Takekiyo et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. 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 differen