X–RAY EMISSION AND X–RAY PHOTOELECTRON STUDY OF THE ELECTRONIC STRUCTURE OF PARAMAGNETIC AND DIAMAGNETIC DERIVATIVES OF 3–IMIDAZOLINE
L. N. Mazalov1,2, A. D. Fedorenko1, N. A. Kryuchkova1,2, Yu. P. Dikov3, Yu. F. Polienko4, I. A. Grigor`ev4
1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
2Novosibirsk State University, Novosibirsk, Russia
3Institute of Geology of Ore Deposits, Petrography, Mineralogy, and Geochemistry, Russian Academy of Sciences, Moscow, Russia
4Vorozhtsov Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
Keywords: free nitroxyl radicals, 3–imidazoline derivatives, X–ray photoelectron spectroscopy, X–ray emission spectroscopy, effective charges, spin density
Abstract
X–ray emission spectra of oxygen OKα and X–ray photoelectron O1 s spectra are obtained for stable nitroxyl radicals: 3–imidazoline derivatives and their diamagnetic derivatives. It is shown that the highest occupied molecular orbitals in the nitroxyl radicals mainly consist of oxygen and nitrogen 2p atomic orbitals of the nitroxyl group. Distinctions in the X–ray emission spectra of oxygen of the compounds studied can be due to the presence of the unpaired electron in the radicals.
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