Halogenation of imidazolium-based ionic liquids: Thermodynamic perspective
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- 作者：Vitaly Chaban ; vvchaban@gmail.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Ionic liquids ; Imidazolium ; Halogenation ; Thermodynamics
- 刊名：Journal of Chemical Thermodynamics
- 出版年：2016
- 出版时间：July 2016
- 年：2016
- 卷：98
- 期：Complete
- 页码：81-85
- 全文大小：727 K
文摘
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Halogenation of the imidazolium-based cation was considered.
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Entropy, enthalpy and free energy for the halogenation reaction were derived using ab initio calculations.
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Fluorination is systematically more favorable than chlorination.
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The results encourage synthetic efforts to obtain the halogenated ionic liquids.