Vibrational spectroscopic and density functional studies on ion solvation and ion association of lithium tetrafluoroborate in 4-methoxymethyl-ethylene carbonate
| Autor: | Wen Yao, Chang Chen, Zhiming Zhou, Hongwei Qiao, Jimei Li, Xiangpeng Fang, Xin Wang, Yukai Wu, Helin Luan |
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| Rok vydání: | 2008 |
| Předmět: |
Chemistry
Inorganic chemistry Lithium tetrafluoroborate Solvation Infrared spectroscopy Ion-association Condensed Matter Physics Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials Ion chemistry.chemical_compound symbols.namesake Materials Chemistry symbols Physical chemistry Density functional theory Physics::Chemical Physics Physical and Theoretical Chemistry Raman spectroscopy Spectroscopy Ethylene carbonate |
| Zdroj: | Journal of Molecular Liquids. 138:69-75 |
| ISSN: | 0167-7322 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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