The gas-phase C 1s and N 1s ionization energies of cyanoguanidine [(NH2)2CN·CN] are reported and reveal significant differences from the solid-state values. The structural parameters of the free molecule are determined theoretically and ab initio calculations are carried out which successfully interpret the measured ionization energies.
I. H. Hillier, A. A. MacDowell and M. J. Scanlan, J. Chem. Soc., Faraday Trans. 2, 1982, 78, 205 DOI: 10.1039/F29827800205
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