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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Original Russian Text Copyright © 2013 by L. N. Mazalov, A. D. Fedorenko, V. I. Ovcharenko, E. V. Tret’yakov, E. Yu. Fursova, N. A. Kryuchkova, A. V. Kalinkin, E. V. Trushin
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Translated from Zhurnal Strukturnoi Khimii, Vol. 54, No. 5, pp. 860–868, September–October, 2013.
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Mazalov, L.N., Fedorenko, A.D., Ovcharenko, V.I. et al. Interpretation of X-ray photoelectron spectra of free nitroxyl radicals. J Struct Chem 54, 898–906 (2013). https://doi.org/10.1134/S0022476613050090
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DOI: https://doi.org/10.1134/S0022476613050090