Chromium speciation in oxide-type compounds: application to minerals, gems, aqueous solutions and silicate glasses

Farges, François

doi:10.1007/s00269-009-0293-3

Cited by 87 publications

(85 citation statements)

References 93 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…1) shows main edge and pre-edge features that are typical of Cr 3+ in octahedral coordination [21][22][23], as for crystalline chromium potassium alum which Cr site is almost regular and for α-Cr 2 O 3 which Cr site is distorted. NS3 spectrum is closer to alum than to α-Cr 2 O 3 .…”

Section: X-ray Absorption Spectroscopy Of Silicate Glassesmentioning

confidence: 96%

Spectroscopic and structural properties of Cr3+ in silicate glasses: Cr3+ does not probe the average glass structure

Villain¹,

Galoisy²,

Calas³

2010

Journal of Non-Crystalline Solids

View full text Add to dashboard Cite

Section: X-ray Absorption Spectroscopy Of Silicate Glassesmentioning

confidence: 96%

Spectroscopic and structural properties of Cr3+ in silicate glasses: Cr3+ does not probe the average glass structure

Villain¹,

Galoisy²,

Calas³

2010

Journal of Non-Crystalline Solids

View full text Add to dashboard Cite

“…3 More recently, an experimental XANES study of the oxidation state of chromium in a variety of Cr-bearing model compounds containing Cr 2+ , Cr 3+ , Cr 4+ , Cr 5+ and Cr 6+ , in which the Cr-site symmetry is D 4h , O h and/or T d , has been reported. 4 In particular, it is shown that the centroid position of the pre-edge feature is again a better indicator of the Cr valence than the edge position. As chromium, vanadium occurs in nature under various oxidation states (i.e., V 2+ , V 3+ , V 4+ and V 5+ ), and vanadium K pre-edge XANES spectra vary systematically with valence state and site symmetry.…”

Section: Overviewmentioning

confidence: 99%

First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge

Cabaret

Bordage

Juhin

et al. 2010

Phys. Chem. Chem. Phys.

156

151

View full text Add to dashboard Cite

. First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2010Chemistry, , 12, pp.5619-5633. 10.1039 This paper is published as part of a PCCP themed issue on recent developments in X-ray absorption spectroscopy Complementarity between high-energy photoelectron and L-edge spectroscopy for probing the electronic structure of 5d transition metal catalysts Toyli Anniyev, Hirohito Ogasawara, Mathias P. First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge We first present an extended introduction of the various methods used to extract electronic and structural information from the K pre-edge X-ray absorption spectra of 3d transition metal ions. The K pre-edge structure is then modelled for a selection of 3d transition metal compounds and analyzed using first-principles calculations based on the density functional theory (DFT) in the local density approximation (LDA). The selected compounds under study are presented in an ascending order of electronic structure complexity, starting with the Ti K-edge of rutile and anatase, and finishing with the Fe K-edge of the cyanomet-myoglobin. In most cases, the calculations are compared to polarized experimental spectra. It is shown that DFT-LDA methods enable us to reproduce satisfactorily the experimental features and to understand the nature of the electronic transitions involved in the pre-edge region. The limiting aspects of such methods in modelling the core-hole electron interaction and the 3d electron-electron repulsion are also pointed out.

show abstract

“…For Cr 6þ in CrO 3 , its absorption edge locates at 6007.2 eV, followed by a strong pre-edge peak at 5993.7 eV. Their energy positions of absorption edge shift to higher energy values with the increasing valence [32]. For (Fig.…”

Section: Valence Of Substituting Metalsmentioning

confidence: 99%

The valence and site occupancy of substituting metals in magnetite spinel structure Fe3−xMxO4 (M = Cr, Mn, Co and Ni) and their influence on thermal stability: An XANES and TG-DSC investigation

Liang

Zhong

Zhu

et al. 2013

Solid State Sciences

View full text Add to dashboard Cite

Chromium speciation in oxide-type compounds: application to minerals, gems, aqueous solutions and silicate glasses

Cited by 87 publications

References 93 publications

Spectroscopic and structural properties of Cr3+ in silicate glasses: Cr3+ does not probe the average glass structure

Spectroscopic and structural properties of Cr3+ in silicate glasses: Cr3+ does not probe the average glass structure

First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge

The valence and site occupancy of substituting metals in magnetite spinel structure Fe3−xMxO4 (M = Cr, Mn, Co and Ni) and their influence on thermal stability: An XANES and TG-DSC investigation

Contact Info

Product

Resources

About