title: Structure of geminal imidazolium bis(trifluoromethylsulfonyl)imide dicationic ionic liquids: a theoretical study of the liquid phase.
abstract: In this work, we report molecular dynamics simulations of the bulk liquid phase of geminal di-imidazolium bis(trifluoromethylsulfonyl)imide ionic liquids. We characterize a few interesting features of the local structure in the liquid phase, and we make a comparison both with gas phase structures and with the monoimidazolic counterparts. We analyze in detail the diffraction properties of these fluids by simulating X-ray and neutron scattering factors and we report on the long-range structural order that seems to also arise in one of these compounds.
authors: Department of Chemistry and CNISM, University of Rome, La Sapienza, Rome, Italy. bodo@caspur.it
authors: E
authors: E
authors: Bodo
authors: M
authors: M
authors: Chiricotto
authors: R
authors: R
authors: Caminiti