Continuum States, XANES, and EXAFS for VO4 3− , CrO4 2− , and MnO4 − Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 1989, Volume: 30, Number: 2, Pages: 249-253 Pages count : 5 DOI: 10.1007/BF00761313 | ||||||
Tags | Physical Chemistry; Inorganic Chemistry; Continuum State; Xanes | ||||||
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Abstract:
The self-consistent field X~ scattered-wave method has been used in calculations on the vacant bound and continuum states in the isoelectronic series MO4n-: VO~ s-, Cr042-, and Mn04-; the fine structures have been calculated for the MK,
ML2.3- , and OK absorption spectra near the ionization thresholds for photoelectron energies e from -10 to +80 eV, which includes the prethreshold, near (XANES), and start of the far (EXAFS) fine structures. The prethreshold fine
structure is due to strong transitions to the bound discrete 2e* and 7t2" orbitals; the absorption beyond the threshold in the XANES region is of nonresonant weak type, while the EXAFS oscillations begin in the 20-30 eV region and arise
only from transitions to the t 2 states, whose electron-density diagrams are similar to the atomic structures of the oxyanions. There is a linear relationship between the energies in the fine-structure details and the metal-oxygen
distances.
Cite:
Kondratenko A.V.
, Fomin E.S.
, Nemanova V.I.
, Ruzankin S.F.
, Zhidomirov G.M.
, Mazalov L.N.
Continuum States, XANES, and EXAFS for VO4 3− , CrO4 2− , and MnO4 −
Journal of Structural Chemistry. 1989. V.30. N2. P.249-253. DOI: 10.1007/BF00761313 WOS Scopus РИНЦ
Continuum States, XANES, and EXAFS for VO4 3− , CrO4 2− , and MnO4 −
Journal of Structural Chemistry. 1989. V.30. N2. P.249-253. DOI: 10.1007/BF00761313 WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Кондратенко А.В.
, Фомин Э.С.
, Неманова В.И.
, Рузанкин С.Ф.
, Жидомиров Г.М.
, Мазалов Л.Н.
Непрерывные состояния и тонкая структура в рентгеновских спектрах поглощения (XANES и EXAFS) комплексов VO4 3− , CrO4 2− и MnO4 −
Журнал структурной химии. 1989. Т.30. №2. С.92-97. РИНЦ
Непрерывные состояния и тонкая структура в рентгеновских спектрах поглощения (XANES и EXAFS) комплексов VO4 3− , CrO4 2− и MnO4 −
Журнал структурной химии. 1989. Т.30. №2. С.92-97. РИНЦ
Dates:
Submitted: | Jun 1, 1987 |
Published print: | Mar 1, 1989 |
Identifiers:
Web of science | WOS:A1989FT87600013 |
Scopus | 2-s2.0-34249974075 |
Elibrary | 31374858 |
OpenAlex | W2076309427 |