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...

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Bibliographic Details
Main Authors: Chenchen Li, Dongmei Lu, Chao Wu
Format: Article
Language:English
Published: Nature Publishing Group 2018-05-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-018-25432-6