Abstract
The He I photoelectron spectra (UPS) of the 2,2′- and 4,4′-bipyridyls and their mono-N-oxides habe been reported and interpreted on the basis of modified CNDO-type calculations. The calculations show that the sequence of the eigenvalues ɛ i is nearly independent from the dihedral angle around the central bond and that the different pattern of the ɛ i must be related to the different positions of the N-atoms. For the N-oxides an assignment is given up to 12eV using the calculated results. Furthermore, the conformations of these compounds has been discussed.
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23. Mitt.:Remane, H., Kluge, G., Scholz, M., Z. phys. Chem. (Leipzig), im Druck.
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Klasinc, L., Novak, I., Rieger, J. et al. MO-Berechnungen an Heterocyclen, 24. Mitt.: Eine Interpretation der UPS der 2,2′-und 4,4′-Bipyridyle und deren N-Monoxide. Monatshefte für Chemie 112, 697–705 (1981). https://doi.org/10.1007/BF00899772
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DOI: https://doi.org/10.1007/BF00899772