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