The role of cations in the interactions between anionic N-heterocycles and SO2
Abstract Our study shows that cation plays a more important role in the interactions between anionic N-heterocycles and SO2 than in the NHC-CO2 case. The adducts of NHC, SO2 and cation often exhibit multiple stable configurations with close energies rather than the only reported “CO2-sandwiched” pla...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
Nature Publishing Group
2018-05-01
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Series: | Scientific Reports |
Online Access: | https://doi.org/10.1038/s41598-018-25432-6 |