Investigations of 1-(4-propylamino)-3-ethyl imidazolium tetrafluoroborate ionic liquid capturing CO2
1-(4-propylamino)-3-ethyl imidazolium ([Paeim]+) Tetrafluoroborate([BF4]-) Ionic liquid (IL), capturing CO2, was explored systematically at B3LYP/6-311++G** and mp2/6-311++G** level. The stable geometries of ILs and capture products were optimized, the energies of these geometries were obtained an...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
Serbian Chemical Society
2013-01-01
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Series: | Journal of the Serbian Chemical Society |
Subjects: | |
Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2013/0352-51391200120Y.pdf |