Dependence with the oxidation state of X-ray transition energies, intensities and natural line widths of CrKβ spectra

Deluigi, M. Torres; Tirao, G.; Stutz, G.; Cusatis, C.; Riveros, José A.

doi:10.1016/j.chemphys.2006.01.021

Cited by 30 publications

(27 citation statements)

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…They argue that in perturbation theory the amount of metal p and ligand 2s mixing will depend on the overlap of these wave functions, and since they have exponential tails, this overlap and hence the observed correlation between Kb 00 normalized intensity and average bond length should vary exponentially with distance. Similar observations were after reported for titanium, vanadium and chromium oxides, [39][40][41][43][44][45] and for normalized Kb 2,5 intensities and the sum of Kb 00 and Kb 2,5 normalized intensities. [39][40][41] Therefore, we assumed that these relative intensities (I R ) may be parameterized by the following functions:…”

Section: Experimental Methods and Data Analysissupporting

confidence: 88%

“…By varying f i (Z) and a i parameters introduced in eqn (1), we obtained optimal fits of scaled normalized intensities I S1 , I S2 , and summed I S3 , defined by eqn (2). All numerical values used for parametrization are presented in Table 2 12 JON for Jones and Urch, 53 BES for Best, 50 TIR for Tirao et al, 43 TOR for Torres Deluigi et al, 44 UR S for Ur si c et al, 51 BER for Bergmann et al, 37 MUK for Mukoyama et al, 21 ASA for Asada et al, 67 IIH for Iihara et al, 52 TSU for Tsutsumi et al, 9 and YAS for Yasuda and Kakiyama. 68 ODB stands for ''our database''.…”

Section: Relative Intensitiesmentioning

confidence: 99%

See 1 more Smart Citation

Parametrization of Kβ′′ and Kβ2,5 X-ray contributions in Kβ spectra of 3d transition metal compounds

Fazinić

Mandić

Kavčič

et al. 2011

J. Anal. At. Spectrom.

View full text Add to dashboard Cite

Large database of high resolution Kb X-ray emission spectra of selected 3d metal (Ti, V, Cr, Mn) compounds obtained after excitation by 2 and 3 MeV proton beams have been built. Analysis of (relative) positions and intensities of Kb 00 and Kb 2,5 X-ray contributions as a function of chemical and structural properties of analyzed 3d metal compounds have been performed. Two independent experiments employing wavelength dispersive spectrometers with different experimental resolutions (8.1 eV versus 2.8 eV for the case of Cr Kb 1,3 line FWHM) were performed in order to exclude any possible effect of the experimental resolution on the extracted values. A simple parametrization of Kb 00 and Kb 2,5 X-rays' relative positions and intensities over the range of 3d metal compounds with various oxidation states, a wide range of metal-ligand bond lengths, and selected 3d metals, was performed. Results of our parametrization were compared critically with other experimental and theoretical values available in the literature. The parametrization obtained in this work could be used for chemical and structural speciation of 3d metal compounds and for improved interpretation of K X-ray spectra of 3d transition metal compounds measured by solid state detectors.

show abstract

Section: Experimental Methods and Data Analysissupporting

confidence: 88%

Section: Relative Intensitiesmentioning

confidence: 99%

Parametrization of Kβ′′ and Kβ2,5 X-ray contributions in Kβ spectra of 3d transition metal compounds

Fazinić

Mandić

Kavčič

et al. 2011

J. Anal. At. Spectrom.

View full text Add to dashboard Cite

show abstract

“…[13][14][15][16][17][18][19][20][21] When measured with high resolution X-ray detection systems, the Ka and Kb ne structure is observed, and the inuence of chemical effects on individual Ka and Kb line positions and intensities has been studied and applied. [22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39] One common observation of such studies is that the Kb band is more inuenced by chemical effects than the Ka band. Mukoyama et al 40 used the discrete variational (DV) Xa MO cluster method to calculate the Kb/Ka X-ray intensity ratios for several Mn and Cr oxide compounds of tetrahedral and octahedral symmetries.…”

Section: Introductionmentioning

confidence: 99%

Influence of chemical environment on the analysis of X-ray spectra of thick pellet samples containing 3d transition metal compounds

Fazinić

Mihalić

Mandić

2013

J. Anal. At. Spectrom.

View full text Add to dashboard Cite

Nowadays quantitative analysis in energy dispersive X-ray Emission Spectroscopy is usually performed by the "fundamental parameter approach". Such an approach generally relies upon a good knowledge of fundamental physical parameters. As a rule none of the algorithms in use by laboratories performing routine analysis account for possible chemical effects on X-ray intensity ratios or energies. Here we tested the possible influence of such practice on reliability in the routine analysis of thick pellet samples containing transition metal compounds. A number of samples were prepared by mixing various proportions of MnO 2 , KMnO 4 , and Co 3 O 4 (sets A-B) or Cr 2 O 3 , K 2 Cr 2 O 7 , and Fe 2 O 3 (C-D). The samples were irradiated by 2 MeV proton beams and proton induced X-ray emission spectra were analyzed by a "fundamental parameter" approach using the GUPIXWIN code. The main interest has been to test the possibility of false Fe detection in the presence of large Mn and Co peaks (sets A-B) and/or Mn in the presence of large Cr and Fe peaks (sets C-D). The results of the analyses indicate false hits of Fe (sets A-B), and larger reported Mn concentrations than expected (sets C-D). However, in all the cases the reported concentrations for Fe or Mn are in between the limits of detection and quantitation. The influence of surface roughness and other effects have been discussed.

show abstract

“…Experiments by Deluigi indicate that direct speciation may also be carried out by investigation of energy shift and intensity ratio of certain lines. 5 Unfortunately line energy, width, or intensity ratios are not specific enough to provide oxide speciation for salts. 6 Several mass spectrometry based methods also provide oxidation state speciation.…”

Section: Introductionmentioning

confidence: 99%

Direct FexOy speciation in solid state materials by pulsed millisecond radio frequency glow discharge time-of-flight mass spectrometry

DeJesus

King

2011

J. Anal. At. Spectrom.

View full text Add to dashboard Cite

Dependence with the oxidation state of X-ray transition energies, intensities and natural line widths of CrKβ spectra

Cited by 30 publications

References 15 publications

Parametrization of Kβ′′ and Kβ2,5 X-ray contributions in Kβ spectra of 3d transition metal compounds

Parametrization of Kβ′′ and Kβ2,5 X-ray contributions in Kβ spectra of 3d transition metal compounds

Influence of chemical environment on the analysis of X-ray spectra of thick pellet samples containing 3d transition metal compounds

Direct FexOy speciation in solid state materials by pulsed millisecond radio frequency glow discharge time-of-flight mass spectrometry

Contact Info

Product

Resources

About