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Evidence of polyphenols nitrosation by computer aided ESR spectroscopy
Author(s) -
Marchettini Nadia,
Pogni Rebecca,
Basosi Riccardo
Publication year - 1992
Publication title -
makromolekulare chemie. macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 0258-0322
DOI - 10.1002/masy.19920590134
Subject(s) - delocalized electron , unpaired electron , chemistry , polyphenol , metal , spectroscopy , nitrogen , metal ions in aqueous solution , resorcinol , inorganic chemistry , ion , transition metal , computational chemistry , photochemistry , molecule , organic chemistry , catalysis , antioxidant , physics , quantum mechanics
Polyphenols play an important role as model systems in transition metal derivatives for the preparation of macromolecular systems. Among the metal ions ironnitrosyl coordination chemistry has received much attention in the past because of its important role in inorganic and biological processes. In the case of Fe(I)(NO) 2 complexes with polyphenols ligands in solution, difficulties in the interpretation of the ESR spectra arise from complicated patterns due to simultaneous presence of different nitrogen nuclei directly bound to the metal ion or due to the presence of equilibria between species under slow exchange conditions. In order to overcome these difficulties the investigations reported here were carried out using computer simulation of ESR spectra combined with selective isotopic substitution of 14 NO with 15 NO. Resorcinol displays an unexpected nine lines ESR pattern at g=2.018 which can be explained only by considering more than two nitrogen atoms interacting with the unpaired electron delocalized over the metal complex.