Green 1981
Green, S., 1981: Theoretical study of protonated isocyanic acid. J. Phys. Chem., 85, 1676-1679, doi:10.1021/j150612a016.
Self-consistent field calculations have been performed for protonated HNCO. The most stable form is protonated at nitrogen, H2NCO+, with a planar Y-shaped structure. The energy of protonation is calculated to be 187 kcal/mol. A metastable isomer protonated at oxygen, HNCOH+, is found to be about 18 kcal/mol less stable, but with a large barrier against unimolecular rearrangement to H2NCO+. These results are in good accord with recent ion cyclotron resonance experiments. Implications for interstellar chemistry are discussed briefly.
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Green, S.: Theoretical study of protonated isocyanic acid, J. Phys. Chem., 85, 1676-1679, doi:10.1021/j150612a016, 1981.
Green, S. (1981), Theoretical study of protonated isocyanic acid, J. Phys. Chem., 85, 1676-1679, doi:10.1021/j150612a016.
Green, S., 1981: Theoretical study of protonated isocyanic acid. J. Phys. Chem., 85, 1676-1679, doi:10.1021/j150612a016.
Green, S. 1981, J. Phys. Chem., 85, 1676, doi:10.1021/j150612a016.
Green S. Theoretical study of protonated isocyanic acid, J Phys Chem 1981;85:1676-1679. doi:10.1021/j150612a016.
S. Green, J. Phys. Chem. 85, 1676-1679, doi:10.1021/j150612a016 (1981).
