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An Isolated CO2 Adduct of a Nitrogen Base: Crystal and Electronic Structures


  • We thank the CNRS and CEA for funding and Dr. Corinne Chevallard and Dr. Patrick Berthault (CEA Saclay, SIS2M) for assistance with the IR spectrometer and 13CO2 experiments.


original image

In a crystal at last: CO2 binds reversibly to the guanidine molecule TBD. The zwitterionic structure of the adduct is demonstrated by X-ray diffraction analysis and computational methods (see picture; left: C blue, H white, N pink, O red), while its fluxionality in solution is revealed by NMR spectroscopy.