X-ray photoelectron spectra of N-methyltetraphenylporphyrins: evidence for a correlation of binding energies with metal-nitrogen bond distances

1979 ◽  
Vol 18 (7) ◽  
pp. 1776-1780 ◽  
Author(s):  
David K. Lavallee ◽  
John Brace ◽  
Nicholas Winograd
Keyword(s):  
Binding Energies ◽  
Photoelectron Spectra ◽  
X Ray ◽  
Nitrogen Bond

X-Ray photoelectron spectroscopy of monosubstituted perfluorobenzenes

1977 ◽  
Vol 55 (8) ◽  
pp. 1279-1284 ◽  
Author(s):  
Barry C. Trudell ◽  
S. James W. Price
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Binding Energies ◽  
Photoelectron Spectra ◽  
Atomic Charges ◽  
X Ray ◽  
Sophisticated Analysis ◽  
Charge Calculations

The gas phase X-ray photoelectron spectra, XPS, were observed for the series C6F5X (X = F, Cl, I, Br, H). Binding energies were determined from the spectra using the ESCAPLOT Program. Charge calculations were carried out using Equalization of Electronegativity, CNDO/2, and ACHARGE approaches on each molecule. The more sophisticated analysis leads to the following equation correlating the (C 1s) binding energies and the atomic charges qi[Formula: see text]

XPS Spectra of Spin-Triplet Cobalt(III) Complexes

1979 ◽  
Vol 34 (10) ◽  
pp. 1468-1470 ◽  
Author(s):  
Dennis G. Brown ◽  
Ulrich Weser
Keyword(s):  
Triplet State ◽  
Spectral Region ◽  
Magnetic Moments ◽  
Binding Energies ◽  
Photoelectron Spectra ◽  
Xps Spectra ◽  
Satellite Structure ◽  
X Ray ◽  
Spin Triplet

Abstract The X-ray photoelectron spectra of cobalt(III) complexes in an unusual spin triplet state are reported. The binding energies in the 2P spectral region are somewhat low and the spectra exhibit rather strong satellite structure. The Co 2P1/2-CO 2P3/2 separations and satellite intensities appear to be related to the magnetic moments of the complexes as has been suggested previously for cobalt(II) compounds.

scholarly journals X-ray photoelectron spectra structure and chemical bonding in AmO2

2015 ◽  
Vol 30 (2) ◽  
pp. 83-98 ◽  
Author(s):  
Yury Teterin ◽  
Konstantin Maslakov ◽  
Mikhail Ryzhkov ◽  
Anton Teterin ◽  
Kirill Ivanov ◽  
...  
Keyword(s):  
Binding Energy ◽  
Energy Range ◽  
Chemical Bond ◽  
Theoretical Data ◽  
Molecular Orbitals ◽  
Binding Energies ◽  
Photoelectron Spectra ◽  
Spectral Structure ◽  
Discrete Variation ◽  
X Ray

Quantitative analysis was done of the X-ray photoelectron spectra structure in the binding energy range of 0 eV to ~35 eV for americium dioxide (AmO2) valence electrons. The binding energies and structure of the core electronic shells (~35 eV-1250 eV), as well as the relativistic discrete variation calculation results for the Am63O216 and AmO8 (D4h) cluster reflecting Am close environment in AmO2 were taken into account. The experimental data show that the many-body effects and the multiplet splitting contribute to the spectral structure much less than the effects of formation of the outer (0-~15 eV binding energy) and the inner (~15 eV-~35 eV binding energy) valence molecular orbitals. The filled Am 5f electronic states were shown to form in the AmO2 valence band. The Am 6p electrons participate in formation of both the inner and the outer valence molecular orbitals (bands). The filled Am 6p3/2 and the O 2s electronic shells were found to make the largest contributions to the formation of the inner valence molecular orbitals. Contributions of electrons from different molecular orbitals to the chemical bond in the AmO8 cluster were evaluated. Composition and sequence order of molecular orbitals in the binding energy range 0-~35 eV in AmO2 were established. The experimental and theoretical data allowed a quantitative scheme of molecular orbitals for AmO2, which is fundamental for both understanding the chemical bond nature in americium dioxide and the interpretation of other X-ray spectra of AmO2.

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