Investigation of Lithium Water Interactions in Acetonitrile Solutions Using Proton Nuclear Magnetic Resonance, Raman and Infrared Spectroscopies and Extended Huckel Molecular Orbital Calculations

Exchange of acetonitrile into and out of the coordination sphere of lithium ion is shown to be fast on the NMR time scale and slow on the vibrational time scale. Addition of water to solutions of lithium perchlorate in acetonitrile indicates that lithium is preferentially solvated by water and reveals that the solvation number of lithium ion is 4. Results from NMR, IR, Raman, and extended Hiickel molecular orbital calculations are used to discuss the LiC10,-H20-CH,CN system