INTERPRETATION OF X-RAY PHOTOELECTRON SPECTRA OF FREE NITROXYL RADICALS
a:2:{s:4:"TEXT";s:227:"L. N. Mazalov1, A. D. Fedorenko1, V. I. Ovcharenko2, E. V. Tret’yakov2, E. Yu. Fursova2, N. A. Kryuchkova1, A. V. Kalinkin3, E. V. Trushin3";s:4:"TYPE";s:4:"html";}
1A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk
2International Tomography Center, Siberian Division, Russian Academy of Sciences, Novosibirsk
3G. K. Boreskov Institute of Catalysis, Siberian Division, Russian Academy of Sciences, Novosibirsk
Keywords: free nitroxyl radicals, X-ray photoelectron spectroscopy, effective charges, spin density, charge transfer model
Abstract
N1s and O1s X-ray photoelectron spectra of stable nitroxyl radicals (substituted piperidine-1-oxyl, 2-imidazoline-1-oxyl, and 2-imidazoline-3-oxide-1-oxyl) and also diamagnetic derivatives with a {ONCNO} fragment are measured. It is shown that the structure of N1s and O1s X-ray photoelectron spectra of nitroxyls is determined by charge transfer processes between different parts of the molecule to screen the X-ray hole and the spin-spin interaction of unpaired electrons on the HOMO and 1s level.
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