期刊
JOURNAL OF MOLECULAR LIQUIDS
卷 138, 期 1-3, 页码 69-75出版社
ELSEVIER
DOI: 10.1016/j.molliq.2007.08.002
关键词
vibrational spectroscopy; ion solvation and association; lithium tetrafluoroborate; density functional theory
Solvation and association interactions in solutions of LiBF4/4-methoxymethyl-ethylene carbonate (MEC) have been studied as a function of concentration of lithium tetrafluoroborate by infrared and Raman spectroscopy. Strong interaction between Li+ and solvent molecules are observed. Based on the calculations of density function theory, structures of MEC molecule and solvation clusters of Li+ with the lowest Zero point corrected energy were suggested. (C) 2007 Elsevier B.V. All rights reserved.
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