Studies on Room Temperature Ionic Liquid FeCl3-BPC System
TIAN Peng*,1; SONG Xi-Ming2; LI Ying2; DUAN Ji-Dong1; LIANG Zhi-De3; ZHANG Hui1
(1 Department of Chemistry, Shenyang Normal University, Shenyang 110034) (2 Department of Chemistry, Liaoning University, Shenyang 110036) (3 Department of Materials Science, Northeast University, Shenyang 110006)
Abstract：The phase diagram of the binary system FeCl3-n-butylpyridinium chloride (BPC) was established by DSC method. According to the phase diagram, the room temperature ionic liquid (RTIL) window is formed from x＝0.26 to x＝0.58. The depth of RTIL of the FeCl3-BPC system is 80 ℃. Calculations were performed with UHF method as well as 6-31G* basis set in order to predict the structures, energies, bond lengths and vibrational (Raman) frequencies of Iron(III) chloride complexes. Both Raman scattering and ab initio calculations indicate that FeCl4－ is the predominant anion in the ionic liquid at x＝0.50 and FeCl4－, Fe2Cl7－ are the predominant anions in the ionic liquid at x＝0.67 and it could also be confirmed by DSC traces for ionic liquid of the same component.