Solvation of Transition Metal Ions by Water. Sequential Binding Energies of M+(H2O)x (x = 1-4) for M = Ti to Cu Determined by Collision-Induced Dissociation

1994 ◽  
Vol 116 (8) ◽  
pp. 3519-3528 ◽  
Author(s):  
N. F. Dalleska ◽  
Kenji Honma ◽  
L. S. Sunderlin ◽  
P. B. Armentrout
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Transition Metal Ions ◽  
Binding Energies ◽  
Collision Induced Dissociation ◽  
Sequential Binding

Multiplet Splitting of Core-Electron Binding Energies in Transition-Metal Ions

1969 ◽  
Vol 23 (24) ◽  
pp. 1397-1401 ◽  
Author(s):  
C. S. Fadley ◽  
D. A. Shirley ◽  
A. J. Freeman ◽  
P. S. Bagus ◽  
J. V. Mallow
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Transition Metal Ions ◽  
Binding Energies ◽  
Core Electron ◽  
Multiplet Splitting ◽  
Electron Binding Energies ◽  
Electron Binding

scholarly journals A DFT Investigation of Tris-(4´-(Amino)(1,1´-biphenyl)-3,4-diol) Fe(III) Complex

2018 ◽  
Vol 66 (1) ◽  
pp. 67-71
Author(s):  
Mohammad A Matin ◽  
Mohammed A Aziz ◽  
M Saiful Islam
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Metal Ion ◽  
Density Functional ◽  
Structural Parameters ◽  
Chelating Agent ◽  
Transition Metal Ions ◽  
Binding Energies ◽  
Molecular Properties ◽  
Electronic Band

Phenolic compounds, known as the pyrocatechol act as a metal chelating agent. Molecular details of cross-linking of pyrocatechol by transition metal ions are largely unknown. In the present study, the molecular properties of the tris-(4´-(amino)(1,1´-biphenyl)-3,4-diol)- Fe(III) complex have been investigated using density functional theory (DFT) at 6-311G(d,p). Calculated molecular properties of the optimized structure, the binding energies and spectroscopic properties are compared with the available experimental results. For the tris-complex investigated, the binding of Fe (III) with the catechol derivative is not as strong as the binding of other metal ions with catechol. The IR stretching bands show that the strong IR intensities is due to large charge polarization. Calculated electronic band gap is 2.45 eV which is in the range of transition metal ion-tris-(4´-(amino)(1,1´-biphenyl)-3,4-diol) complexes. The metal-ligand binding energy is 513.54 kcal mol-1, which could be used in understanding the speciation of Fe(III)-catechol complex. Structural parameters obtained from the DFT calculations are in good agreement with the crystallographic data. Dhaka Univ. J. Sci. 66(1): 67-71, 2018 (January)

HREM Study of electron-induced surface radiation damage in ReO3

1991 ◽  
Vol 49 ◽  
pp. 636-637
Author(s):  
R. Ai ◽  
H.-J. Fan ◽  
L. D. Marks
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Metal Oxides ◽  
Electron Irradiation ◽  
Transition Metal Oxides ◽  
Carbon Film ◽  
Transition Metal Ions ◽  
Surface Radiation ◽  
Valence Transition ◽  
Electron Microscopes

It has been known for a long time that electron irradiation induces damage in maximal valence transition metal oxides such as TiO2, V2O5, and WO3, of which transition metal ions have an empty d-shell. This type of damage is excited by electronic transition and can be explained by the Knoteck-Feibelman mechanism (K-F mechanism). Although the K-F mechanism predicts that no damage should occur in transition metal oxides of which the transition metal ions have a partially filled d-shell, namely submaximal valence transition metal oxides, our recent study on ReO3 shows that submaximal valence transition metal oxides undergo damage during electron irradiation.ReO3 has a nearly cubic structure and contains a single unit in its cell: a = 3.73 Å, and α = 89°34'. TEM specimens were prepared by depositing dry powders onto a holey carbon film supported on a copper grid. Specimens were examined in Hitachi H-9000 and UHV H-9000 electron microscopes both operated at 300 keV accelerating voltage. The electron beam flux was maintained at about 10 A/cm2 during the observation.

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