Anions, the Reporters of Structure in Ionic Liquids

作者：Hettige Jeevapani J; Kashyap Hemant K; Annapureddy Harsha V R; Margulis Claudio J^*

来源：Journal of Physical Chemistry Letters, 2013, 4(1): 105-110.

DOI：10.1021/jz301866f

In this work we compare the role that different anions play in the structure function S(q) for a set of liquids with the same cation. It is well established that because of their amphiphilic nature and their often larger size, cations play a fundamental role in the structural landscape of ionic liquids. On the other hand, it is often atoms in the anions that display the largest X-ray form factors and therefore play a very significant role as reporters of structure in small- and wide-angle X-ray scattering (SAXS/WAXS)-type experiments. For a set of liquids with similar topological landscape, how does S(q) change when the anionic scattering is deemphasized? Also, how do we computationally recover the typical length scale of important and perhaps universal ionic liquid structural features such as charge alternation when these are experimentally inaccessible from S(q) because of interference cancellations? We answer these questions by studying three different tetrapentylammonium-based liquids with the I-, PF6- and N(CN)(2)(-) anions.

• 出版日期2013-1-3