title: Ion solvation and association in LiClO4/sulfolane solution: a vibrational spectroscopic and molecular orbital study.
abstract: Solvation interaction and ion association in solutions of lithium perchlorate/sulfolane have been studied by using infrared and Raman spectra as a function of concentration of lithium perchlorate. The band changes of antisymmetric OSO stretch, antisymmetric CSC stretch, -SO2 wag and twist suggest that there is an interaction between Li+ and sulfolane molecules, and the site of solvation is the oxygen atom of -SO2 group. The molecular orbital calculation supports this suggestion. On the other hand, the apparent solvation number was calculated, and the band fitting for the ClO4- band reveals the presence of contact ion pair, solvent separated ion pair and free ClO4- anion in the concentrated solutions.
authors.affiliation: School of Chemical and Environmental Sciences, Henan Normal University, Xinxiang, People's Republic of China.
authors.forename: X
authors.initials: X
authors.lastname: Xuan
authors.forename: J
authors.initials: J
authors.lastname: Wang
authors.forename: J
authors.initials: J
authors.lastname: Lu
authors.forename: N
authors.initials: N
authors.lastname: Pei
authors.forename: Y
authors.initials: Y
authors.lastname: Mo
mesh_terms: D004573:Electrolytes; D007477:Ions; D018020:Lithium Compounds / Q000737:chemistry*; D010472:Perchlorates / Q000737:chemistry*; D012996:Solutions; D012997:Solvents; D013055:Spectrophotometry, Infrared / Q000379:methods; D013059:Spectrum Analysis, Raman / Q000379:methods; D013876:Thiophenes / Q000737:chemistry*
chemical_list: D004573:Electrolytes; D007477:Ions; D018020:Lithium Compounds; D010472:Perchlorates; D012996:Solutions; D012997:Solvents; D013876:Thiophenes; C054684:lithium perchlorate; C013693:sulfolane