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Static and Transport Properties of Alkyltrimethylammonium Cation-Based Room-Temperature Ionic Liquids

2014; American Chemical Society; Volume: 118; Issue: 17 Linguagem: Inglês

10.1021/jp500123q

1520-6106

Shiro Seki, Seiji Tsuzuki, Kikuko Hayamizu, Nobuyuki Serizawa, Shimpei Ono, Katsuhito Takei, Hiroyuki Doi, Yasuhiro Umebayashi,

Material Dynamics and Properties

We have measured physicochemical properties of five alkyltrimethylammonium cation-based room-temperature ionic liquids and compared them with those obtained from computational methods. We have found that static properties (density and refractive index) and transport properties (ionic conductivity, self-diffusion coefficient, and viscosity) of these ionic liquids show close relations with the length of the alkyl chain. In particular, static properties obtained by experimental methods exhibit a trend complementary to that by computational methods (refractive index ∝ [polarizability/molar volume]). Moreover, the self-diffusion coefficient obtained by molecular dynamics (MD) simulation was consistent with the data obtained by the pulsed-gradient spin-echo nuclear magnetic resonance technique, which suggests that computational methods can be supplemental tools to predict physicochemical properties of room-temperature ionic liquids.