Electron structure and chemical binding in the titanium and vanadium compounds

Sheludchenko, L.M.; Kucherenko, Yu.; Aleshin, V. G.

doi:10.1016/0022-3697(81)90156-6

Cited by 21 publications

(4 citation statements)

References 17 publications

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“…Authors are now agreed that charge transfer takes place from metal to non-metal, but there is little agreement on the extent of the transfer [3], with, for example, in the particular case of TIN, calculated effective charges on the Ti atoms of 0.6 [4], 0.4 [5], or 1.2 [6] electronic charges. A recent Compton profile study [7] on TIN appears to support an effective charge of 1.5 electrons on the Ti atoms.…”

Section: Introductionmentioning

confidence: 99%

Electron Transfer and Thermal Vibration Parameters in Titanium Nitride: An X‐Ray Diffraction Study

Field

1984

Physica Status Solidi (b)

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An X-ray diffraction study of titanium nitride powder of composition TiN0.89 is carried out at room temperature. The electron transfer from the Ti atom to the non-metal sites is found to be (1.5 f 0.3) electronic charges. The values of the r.m.s. vibration amplitudes of the atoms are U T~ = = (7.12 f 0.04) pm, uN = (6.1Rontgen-Beugungsuntersuchungen an Titannitridpulver der Zusammensctzung TiNo.89 werden bei Raumtemperatur durchgefiihrt. Der Elektronentransport vom Titanatom zu den nichtmetallischcn Platzen wird zu (1,5 0,3) Elektronenladungen gefunden. Die quadratischen Mittelwerte der Schwingungsamplituden der Atome sind UTi = (7,12 f 0,04) pm, U N =

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Section: Introductionmentioning

confidence: 99%

Electron Transfer and Thermal Vibration Parameters in Titanium Nitride: An X‐Ray Diffraction Study

Field

1984

Physica Status Solidi (b)

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“…Koster and Mendel, 47 Bergmann et al 37 and others 55,56 reported that the energy separation between Kb 2,5 and Kb 00 is approximately given by the energy difference between the ligand 2s and 2p energy levels, indicating that this energy difference may be a useful measure to identify the type of ligand in a transition metal compound. Fig.…”

Section: Resultsmentioning

confidence: 99%

“…The data from our database are presented as >, while all the other data found in the literature are shown as circles. 9,[35][36][37]44,45,[47][48][49][50][51]53,[55][56][57][58][59][60][61][62][63][64][65][66] All obtained fit parameters are summarized in Table 3. The f 2 (Z) parameters for Fe, Co, Ni, and Cu are scaled values based on the Asada et al 67 data, as explained earlier.…”

Section: Relative Intensitiesmentioning

confidence: 99%

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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.

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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.

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The Discrete Variational Xα‐Method Interpretation of the C KVV and Ti L_2,3M_2,3V Auger Spectra of TiC

Gutsev

Shul’ga

Borod'ko

1984

Physica Status Solidi (b)

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The C KVV and Ti L2,3M2,3V Auger spectra are obtained for near stoichiometric Tic. Their interpretation is based on the results of the DVM-X, calculations of the Auger transition energies in a cluster approach and the evaluation of each transition intensity in the one-centre approximation. The crystal structure is accounted for in the embedding cluster model. Theoretical values of the Auger energies and probabilities of transitions allow to describe qualitatively all the peculiarities of the Tic experimental spectra. Owe-cneKTpH c KVV H TiLz,3M2,3V ~a p 6~~a TuTaHa nonyr1eHH ~n f i cocTaBa Tic, 6n~31ioro K CTeXMOMeTpMseCKOMy. klHTepIIpeTaUllH CneKTpOB OCHOBaHa Ha pe3yJIbTaTaX PaCseTa 3HePrHfi Ome-IIepeXOnOB AHCHpeTHO-BapllaqMOHHbIM Xa-MeTOAOM B HJlaCTepHOM B IICeBAOKPEICTaJIJI ' ', a HHTeHCMBHOCTH Ome-dlMHHB PaCC4MTaHbI B OAHOlleHTPOBOM npM-BOJIRIOT KaWCTBeHHO OIIHCaTb BCe OCO6eHHOCTll 3KCIIepEIMeHTaJIbHbIX CneHTpOB. I I~H~~E I~~H E I E I . ICpHcTannMsecHoe oIipymeHwe ysTeHo B paMKax MoAeaH , ,norpymeHm 6name~mi. TeopeTmecraie ~H~~~H E I R a~eprafi EI BepomHocTefi Owe-nepexoAoB 1103-

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Electron structure and chemical binding in the titanium and vanadium compounds

Cited by 21 publications

References 17 publications

Electron Transfer and Thermal Vibration Parameters in Titanium Nitride: An X‐Ray Diffraction Study

Electron Transfer and Thermal Vibration Parameters in Titanium Nitride: An X‐Ray Diffraction Study

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

The Discrete Variational Xα‐Method Interpretation of the C KVV and Ti L_2,3M_2,3V Auger Spectra of TiC

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Electron structure and chemical binding in the titanium and vanadium compounds

Cited by 21 publications

References 17 publications

Electron Transfer and Thermal Vibration Parameters in Titanium Nitride: An X‐Ray Diffraction Study

Electron Transfer and Thermal Vibration Parameters in Titanium Nitride: An X‐Ray Diffraction Study

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

The Discrete Variational Xα‐Method Interpretation of the C KVV and Ti L2,3M2,3V Auger Spectra of TiC

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The Discrete Variational Xα‐Method Interpretation of the C KVV and Ti L_2,3M_2,3V Auger Spectra of TiC