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Perfluoro effect in the photoelectron spectra of quinoline and isoquinoline

✍ Scribed by D.M.W. van den Ham; D. van der Meer

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
151 KB
Volume
15
Category
Article
ISSN
0009-2614

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✦ Synopsis

The high-resolution He 584 A photoelectron spectra of heptafluoroquinoline and heptafluoroisoquinoline are compared with those of the parent compounds. Shifts in ~r ionisation potentials, due to the fluorine substitution, can be described with an inductive and a combined inductive-conjugative Hiickel model.

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Three methods, two empirical and one semiempirical, for predicting 13C chemical shifts in six plychloroheterocyclics are considered. It was found that the semi-empirical correlations with CNDO/2 calculated charges, although useful, could not be used in isolation from the other two methods. Of these,