Conformational analysis of 1-butyl-3-methylimidazolium by CCSD(T) level ab initio calculations: effects of neighboring anions.

Conformational energies for the butyl group of 1-butyl-3-methylimidazolium (bmim) were calculated by high-level ab initio methods. Estimated relative energies for the TT, GT and G'T rotamers of an isolated bmim cation at the CCSD(T)/cc-pVTZ level are 0.0 -0.

Density dependences of long-range fluctuations and short-range correlation lengths of CHF3 and CH2F2 in supercritical states.

Small-angle x-ray scattering (SAXS) measurements are carried out for supercritical polar fluorocarbons, CHF3 and CH2F2, along the isotherm of 1.04 in reduced temperatures with the density range from 0.3 to 1.