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Photoelectron spectroscopy of biologically active molecules 12 benzene‐containing amides
Author(s) -
Klasinc L.,
Novak I.,
SabljiĆ A.,
Mcglynn S. P.,
Klasinc L.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560300824
Subject(s) - acetamide , acetanilide , chemistry , salicylamide , benzamide , moiety , benzene , benzoic acid , molecule , medicinal chemistry , x ray photoelectron spectroscopy , ring (chemistry) , stereochemistry , organic chemistry , nuclear magnetic resonance , physics
The Hel photoelectron spectra of benzamide (1), 2‐hydroxybenzamide (salicylamide, 2), N ‐phenylacetamide (acetanilide, 3), N ‐(4‐hydroxyphenyl) acetamide (paracetamol, 4), and N ‐(4‐ethoxyphenyl) acetamide (phenacetine, 5) have been recorded and analyzed. A tactical approach similar to the composite molecule analysis of benzoic acid derivatives (T. Meeks, A. Wahlborg and S. P. McGlynn, J. Electron Spectrosc. 22, 43 (1981) was used to determine the electronic structure of 1–5. The interaction of the benzene ring with the amidic group and the role of the benzenoid moiety in the biological activity of these compounds is emphasized.