Quadrupole Coupling in 4-Fluoro-benzonitrile. A Microwave Fourier Transform Study

Quadrupole Coupling in 4-Fluoro-benzonitrile. A Microwave Fourier Transform Study

The N quadrupole hfs coupling has been studied in Para-fluoro-benzonitrile using the high resolution microwave Fourier transform spectrometer constructed at Kiel University. If interpreted within a simplified MO treatment, the data show that the out-off-plane p-electron density at the Nitrogen nucle...

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Veröffentlicht in:Zeitschrift für Naturforschung. A, A journal of physical sciences A journal of physical sciences, 1986-05, Vol.41 (5), p.752-755
Hauptverfasser: Böttcher, Olaf, Sutter, Dieter H.
Format: Artikel
Sprache:eng
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Zusammenfassung:The N quadrupole hfs coupling has been studied in Para-fluoro-benzonitrile using the high resolution microwave Fourier transform spectrometer constructed at Kiel University. If interpreted within a simplified MO treatment, the data show that the out-off-plane p-electron density at the Nitrogen nucleus is appearently larger than the in-plane density, contrary to the prediction of a CNDO/2 calculation.
ISSN:0932-0784
1865-7109
DOI:10.1515/zna-1986-0511