Details

Autor(en) / Beteiligte

• Qiao, Hongwei
• Fang, Xiangpeng
• Luan, Helin
• Zhou, Zhiming
• Wu, Yukai
• Yao, Wen
• Wang, Xin
• Li, Jimei
• Chen, Chang

Titel

Vibrational spectroscopic and density functional studies on ion solvation and ion association of lithium tetrafluoroborate in 4-methoxymethyl-ethylene carbonate

Ist Teil von

• Journal of molecular liquids, 2008-02, Vol.138 (1), p.69-75

Ort / Verlag

Elsevier B.V

Erscheinungsjahr

2008

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Solvation and association interactions in solutions of LiBF 4/4-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.