TY - JOUR
T1 - Cyanogen Azide. Ionization Potentials and Ab Initio SCF MO Calculation
AU - Bak, Börge
AU - Jansen, Peter
AU - Stafast, Herbert
PY - 1975
Y1 - 1975
N2 - 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.
AB - 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.
U2 - 10.1016/0009-2614(75)85324-3
DO - 10.1016/0009-2614(75)85324-3
M3 - Journal article
SN - 0009-2614
VL - 35
SP - 247
EP - 250
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 2
ER -