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Interpretation of X-Ray Photoelectron Spectra of Free Nitroxyl Radicals Full article

Common Language: Английский, Genre: Full article,
Status: Published, Source type: Translated
Journal Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779
Output data Year: 2013, Volume: 54, Number: 5, Pages: 898-906 Pages count : 9 DOI: 10.1134/S0022476613050090
Tags charge transfer model, effective charges, free nitroxyl radicals, spin density, X-ray photoelectron spectroscopy
Authors Mazalov L.N. 1 , Fedorenko A.D. 1 , Ovcharenko V.I. 2 , Tretʹyakov E.V. 2 , Fursova E.Yu. 2 , Kryuchkova N.A. 1 , Kalinkin A.V. 3 , Trushin E.V. 3
Affiliations
1 Nikolaev Institute of Inorganic Chemistry SB RAS
2 International Tomography Center SB RAS
3 Boreskov Institute of Catalysis SB RAS

Funding (1)

1 Russian Foundation for Basic Research 12-03-00558

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.
Cite: Mazalov L.N. , Fedorenko A.D. , Ovcharenko V.I. , Tretʹyakov E.V. , Fursova E.Y. , Kryuchkova N.A. , Kalinkin A.V. , Trushin E.V.
Interpretation of X-Ray Photoelectron Spectra of Free Nitroxyl Radicals
Journal of Structural Chemistry. 2013. V.54. N5. P.898-906. DOI: 10.1134/S0022476613050090 WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL: Мазалов Л.Н. , Федоренко А.Д. , Овчаренко В.И. , Третьяков Е.В. , Фурсова Е.Ю. , Крючкова Н.А. , Калинкин А.В. , Трушин Е.В.
Интерпретация рентгеновских фотоэлектронных спектров свободных нитроксильных радикалов
Журнал структурной химии. 2013. Т.54. №5. С.860-868. publication_identifier_short.rsci_identifier_type РИНЦ
Dates:
Submitted: Mar 19, 2013
Published print: Sep 1, 2013
Published online: Nov 29, 2013
Identifiers:
Web of science WOS:000327898500009
Scopus 2-s2.0-84890480202
Elibrary 21901033
AN 2013:1860979
CAN 161:663812
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