Photoelectron Spectroscopy of Heterocycles. Dipyridylethylenes

I. Novak, L. Klasinc

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

The photoelectron (PE) spectra of 1,2-di-(2-pyridyl)-ethylene 1, l-(2-pyridyl)-2-(3-pyridyl)-ethylene 2, 1-(2-pyridyl)-2-(4-pyridyl)-ethylene 3 and 1,2-di-(4-pyridyl) -ethylene 4 all in their trans conformation have been measured using He I radiation. For 1 — 4 Standard SCF LCAO MO calculations were performed changing the angle of twist # of the pyridine rings around their bonds to ethylene conrotatively from 0° to 60°. Comparison of PE spectra and these calculations allowed the assignment of all 7r-ionizations and indirectly also the nitrogen lone pair ionizations in 1 — 4 but not a determination of their conformation in the gas phase. There is only indication that $ in these molecules is rather small (30°).

Original languageEnglish
Pages (from-to)886-889
Number of pages4
JournalZeitschrift fur Naturforschung - Section A Journal of Physical Sciences
Volume32
Issue number8
DOIs
Publication statusPublished - 01 Aug 1977

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