MO-Berechnungen an Heterocyclen, 24. Mitt. Eine Interpretation der UPS der 2,2′-und 4,4′-Bipyridyle und deren N-Monoxide

Translated title of the contribution: An interpretation of the UPS of 2,2′- and 4,4′-Bipyridyle and Their mono-N-oxides

Leo Klasinc, Igor Novak, Jürgen Rieger, Manfred Scholz

Research output: Contribution to journalArticle

3 Citations (Scopus)

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 e{open}i is nearly independent from the dihedral angle around the central bond and that the different pattern of the e{open}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.

Translated title of the contributionAn interpretation of the UPS of 2,2′- and 4,4′-Bipyridyle and Their mono-N-oxides
Original languageGerman
Pages (from-to)697-705
Number of pages9
JournalMonatshefte für Chemie
Volume112
Issue number6-7
DOIs
Publication statusPublished - Jun 1981

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