Cyanogen Azide. Ionization Potentials and Ab Initio SCF MO Calculation

Börge Bak, Peter Jansen, Herbert Stafast

    Research output: Contribution to journalJournal articleResearchpeer-review


    The Ne(I) and He(I) photoelectron(PE) spectra of cyanogen azide, NCN3, have been recorded at high resolution. Their interpretation is achieved by comparison with the PE spectrum of HN3 and an ab initio LCGO SCF MO calculation. Deviations from Koopmans' theorem of quite different magnitudes are found dependent on the type of ionisation process.
    Original languageEnglish
    JournalChemical Physics Letters
    Issue number2
    Pages (from-to)247-250
    Publication statusPublished - 1975


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