Analytical Sciences

Abstract − Analytical Sciences, 24(10), 1373 (2008).

Liquid Structure of 1-Butyl-3-methylimidazolium Hexafluorophosphate by Neutron Diffraction with H/D Isotopic Substitution Method
Mitsuhiro KANAKUBO,* Takuji IKEDA,* Takafumi AIZAWA,* Hiroshi NANJO,* Yasuo KAMEDA,** Yuko AMO,** and Takeshi USUKI**
*National Institute of Advanced Industrial Science and Technology (AIST), 4-2-1 Nigatake, Miyagino, Sendai 983-8551, Japan
**Department of Material and Biological Chemistry, Faculty of Science, Yamagata University, 1-4-12 Kojirakawa-machi, Yamagata 990-8560, Japan
The liquid structure of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate, [BMIM]PF6, was investigated by neutron diffraction with H/D substitution method, where the hydrogen atoms in the imidazolium ring were partially deuterated. The local structures around the ring hydrogen atoms in liquid are very similar to those estimated from the crystal structure.