Photoelectron spectra of solid inorganic and organometallic compounds using synchrotron radiation. Valence band spectra and ligand field broadening of core d levels

1977 ◽  
Vol 99 (6) ◽  
pp. 1752-1762 ◽  
Author(s):  
G. M. Bancroft ◽  
T. K. Sham ◽  
D. E. Eastman ◽  
W. Gudat
Keyword(s):  
Synchrotron Radiation ◽  
Valence Band ◽  
Organometallic Compounds ◽  
Photoelectron Spectra ◽  
Ligand Field ◽  
Band Spectra

Variable-energy photoelectron spectroscopy of CpM(CO)3 (M = Mn, Re) and CpFe(CO)2I

1996 ◽  
Vol 74 (11) ◽  
pp. 2240-2249 ◽  
Author(s):  
Yong-Feng Hu ◽  
G. Michael Bancroft ◽  
Kim H. Tan ◽  
John S. Tse ◽  
Dong-Sheng Yang
Keyword(s):  
Synchrotron Radiation ◽  
Transition Metal Complexes ◽  
Photoelectron Spectroscopy ◽  
General Trend ◽  
Resonance Effect ◽  
Photoelectron Spectra ◽  
Ligand Field ◽  
Band Spectra ◽  
Variable Energy ◽  
Good Agreement

Photoelectron spectra of the valence, inner-valence, and core levels of CpM(CO)3 (M = Mn, Re) and CpFe(CO)2I were obtained using He I radiation and synchrotron radiation between 21 eV and 150 eV photon energies. The high-resolution Mn 3p, Fe 3p, and I 4d core level spectra are reported. Broadening of the I 4d spectrum is due to vibrational and ligand field splittings. Observation of the 3p spectra is critical to fully interpreting the np → nd resonance effect in the valence band spectra. This resonance effect is very useful for assigning the metal d orbital bands in the valence spectra. A Xα-SW calculation of CpMn(CO)3 was used to confirm the assignment of the valence and inner-valence orbitals. The experimental and theoretical branching ratios are in good agreement. The general trend of the metal d orbital ionization potentials for CpML3 (M = transition metal) complexes is also discussed. Key words: photoelectron, synchrotron radiation, CpMn(CO)3, CpRe(CO)3, CpFe(CO)2I, np → nd resonance, Xα-SW calculation.

Photoelectron Spectra of Organometallic Compounds Containing Silicon-Silicon and Silicon-Germanium Bonds: Valence Band Studies

1994 ◽  
Vol 13 (9) ◽  
pp. 3671-3678 ◽  
Author(s):  
Douglas G. J. Sutherland ◽  
Jian Z. Xiong ◽  
Zhifeng Liu ◽  
T. K. Sham ◽  
G. Michael Bancroft ◽  
...  
Keyword(s):  
Valence Band ◽  
Silicon Germanium ◽  
Organometallic Compounds ◽  
Photoelectron Spectra ◽  
Silicon Silicon

High resolution molecular gas phase photoelectron spectra of core levels using synchrotron radiation - vibrational and ligand field splittings

1990 ◽  
Vol 165 (1) ◽  
pp. 1-5 ◽  
Author(s):  
J.D. Bozek ◽  
J.N. Cutler ◽  
G.M. Bancroft ◽  
L.L. Coatsworth ◽  
K.H. Tan ◽  
...  
Keyword(s):  
High Resolution ◽  
Synchrotron Radiation ◽  
Gas Phase ◽  
Photoelectron Spectra ◽  
Ligand Field ◽  
Molecular Gas

Smoothing and Resolution Enhancement of Photoelectron Spectra with the Aid of a Programmable Desk Calculator

1976 ◽  
Vol 30 (2) ◽  
pp. 219-224 ◽  
Author(s):  
Jean-Jacques Pireaux
Keyword(s):  
Chemical Analysis ◽  
Least Squares ◽  
Valence Band ◽  
Electron Spectroscopy ◽  
Resolution Enhancement ◽  
Photoelectron Spectra ◽  
Simple Method ◽  
Desk Calculator ◽  
Band Spectra ◽  
Derivatives Of

A least-squares algorithm suitable for a small memory-size programmable desk calculator is proposed for smoothing and deconvoluting electron spectroscopy for chemical analysis spectra. Smoothing with quadratic polynomial passing through nine points is shown to be the most convenient. The same procedure is applied to compute derivatives of spectra; power and limitations of this extremely simple method are discussed, in relation to a reexamination of gold valence band spectra, revealing significant features.

High resolution HeI and HeII photoelectron spectra of the thallium halides: valence bands and Tl 5d ligand field splittings

1983 ◽  
Vol 61 (12) ◽  
pp. 2669-2678 ◽  
Author(s):  
G. M. Bancroft ◽  
D. J. Bristow
Keyword(s):  
High Resolution ◽  
Valence Band ◽  
Photoelectron Spectra ◽  
Ligand Field ◽  
Orbit Splitting ◽  
Spin Orbit Splitting ◽  
State Potential ◽  
Valence Bands ◽  
Good Agreement ◽  
Thallium Halides

We report high resolution photoelectron spectra of both the valence bands and Tl 5d levels of the thallium halides (TlX; X = Cl, Br, I) in the gas phase. A transition state Xα-SW calculation on TlCl agrees with previous valence band assignments, although our calculated orbital characters are quite different from those reported previously. The calculated spin–orbit splitting of the 22II state in TlI is in good agreement with the observed value of 0.83 eV. Line width variations are rationalized considering the increase in covalency from TlCl to TlI, and variations in the slope of the excited state potential curve.Ligand field splitting of the Tl 5d level has been resolved in all three compounds. The observed values of the non-cubic part of the crystal field (C20) are: −0.0210 eV (TlCl), −0.0233 eV (TlBr), and −0.0258 eV (TlI). The above trend is due to the increasing covalency from TlCl to TlI, with a concomitant increase in the Tl 6p orbital population. Calculated C20 values are in good agreement with those observed. The configuration interaction structure in the Tl 5d region is explained qualitatively using Xα-SW calculations of two-hole valence band energies in TlCl.

Evidence of Eu2+ 4f electrons in the valence band spectra of EuTiO3 and EuZrO3

2012 ◽  
Vol 112 (8) ◽  
pp. 083719 ◽  
Author(s):  
T. Kolodiazhnyi ◽  
M. Valant ◽  
J. R. Williams ◽  
M. Bugnet ◽  
G. A. Botton ◽  
...  
Keyword(s):  
Valence Band ◽  
Band Spectra

X-ray photoemission spectroscopy of alkali-metal antimonide photocathodes: Valence-band spectra

1988 ◽  
Vol 37 (8) ◽  
pp. 4225-4231 ◽  
Author(s):  
L. Galán ◽  
E. Elizalde ◽  
E. Martinez
Keyword(s):  
Alkali Metal ◽  
Valence Band ◽  
Photoemission Spectroscopy ◽  
X Ray ◽  
Band Spectra

Valence band spectra of 4d and 5d silicides

1997 ◽  
Vol 9 (43) ◽  
pp. 9403-9414 ◽  
Author(s):  
Yu M Yarmoshenko ◽  
S N Shamin ◽  
L V Elokhina ◽  
V E Dolgih ◽  
E Z Kurmaev ◽  
...  
Keyword(s):  
Valence Band ◽  
Band Spectra

DFT calculations of energy dependent XPS valence band spectra

2019 ◽  
Vol 230 ◽  
pp. 1-9 ◽  
Author(s):  
Mahdiyar Bagheri ◽  
Peter Blaha
Keyword(s):  
Dft Calculations ◽  
Valence Band ◽  
Band Spectra ◽  
Energy Dependent
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