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

Authors


  • 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.

Abstract

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.

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