Abstract
Mono- and diprotonated guanidines were prepared in superacid solutions and studied by 1H, 13C, and 15N NMR spectroscopy. The structures, energies, and NMR chemical shifts were also calculated by ab initio/IGLO/GIAO-MP2 method. Excellent agreement were found between experimental and calculated 13C and 15N NMR chemical shifts. No persistent triprotonated guanidine was observed. Tri- and tetraprotonated guanidines were also studied by ab initio/IGLO/GIAO-MP2 method.
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