title: Ion-molecule interactions in solutions of lithium perchlorate in propylene carbonate + diethyl carbonate mixtures: an IR and molecular orbital study.
abstract: FTIR spectra have been recorded and analyzed for solutions of lithium perchlorate in propylene carbonate (PC), diethyl carbonate (DEC), and PC + DEC mixtures. It has been shown that the carbonyl stretch bands for PC and DEC are very sensitive to the interaction between Li+ and the solvent molecules. They split with addition of LiClO4, indicating a strong interaction of Li+ with PC and DEC through the oxygen group of PC and both oxygen and ether oxygen atoms of DEC. In conjunction with molecular orbital calculation, the optimized geometries of solvation are given. In addition, solvent separated ion pairs and contact ion pairs were observed in LiClO4/DEC solutions, and no preferential solvation of Li+ in LiClO4/PC + DEC solutions were detected.
authors.affiliation: Department of Chemistry, Henan Normal University, Xinxiang, People's Republic of China. jwang@henannu.edu.cn
authors.forename: Jianji
authors.initials: J
authors.lastname: Wang
authors.forename: Yanping
authors.initials: Y
authors.lastname: Wu
authors.forename: Xiaopeng
authors.initials: X
authors.lastname: Xuan
authors.forename: Hanqing
authors.initials: H
authors.lastname: Wang
mesh_terms: D002254:Carbonates; D004047:Diethyl Pyrocarbonate / Q000031:analogs & derivatives*; D018020:Lithium Compounds / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D010472:Perchlorates / Q000737:chemistry*; D011407:Propane / Q000031:analogs & derivatives; D012996:Solutions; D012997:Solvents; D013055:Spectrophotometry, Infrared
chemical_list: D002254:Carbonates; D018020:Lithium Compounds; D010472:Perchlorates; D012996:Solutions; D012997:Solvents; C017858:ethyl carbonate; C045990:propylene carbonate; D004047:Diethyl Pyrocarbonate; C054684:lithium perchlorate; D011407:Propane