TY - JOUR
T1 - Photoelectron Spectroscopy of Heterocycles. Dipyridylethylenes
AU - Novak, I.
AU - Klasinc, L.
PY - 1977/8/1
Y1 - 1977/8/1
N2 - 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°).
AB - 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°).
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U2 - 10.1515/zna-1977-0815
DO - 10.1515/zna-1977-0815
M3 - Article
AN - SCOPUS:0006161186
SN - 0932-0784
VL - 32
SP - 886
EP - 889
JO - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences
JF - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences
IS - 8
ER -