X-ray photoelectron spectra of C6F5X compounds (X = CH3, CF3, CN, CHO, OH, OCH3, NH2, NO2)

The gas phase photoelectron spectra, XPS, were observed for the series C6F5X (X = CH3, CF3, OCH3, OH, CHO, NO2, NH2, CN). Binding energies were determined from the spectra by using computer curve fitting. Charge calculations were carried out using CNDO/2 and ACHARGE techniques. The CNDO/2 analysis led to the following correlation for the C 1s binding energies and the atomic charges, qi[Formula: see text]Correlations were also obtained for O 1s and N 1s:[Formula: see text]These equations are based on only four and three points respectively. However, the N 1s values cover a wide range (Ei, 402 to 419 eV; qi, −0.2 to 0.5) and show a better correlation than those for oxygen.

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X-Ray photoelectron spectroscopy of monosubstituted perfluorobenzenes

Canadian Journal of Chemistry ◽

10.1139/v77-177 ◽

1977 ◽

Vol 55 (8) ◽

pp. 1279-1284 ◽

Cited By ~ 6

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]

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New interpretation and approach to curve fitting synchrotron X-ray photoelectron spectra of (Fe,Ni)9S8 fracture surfaces

Applied Surface Science ◽

10.1016/j.apsusc.2019.144458 ◽

2020 ◽

Vol 504 ◽

pp. 144458 ◽

Cited By ~ 2

Author(s):

Zoe E. Pettifer ◽

Jamie S. Quinton ◽

William M. Skinner ◽

Sarah L. Harmer

Keyword(s):

Curve Fitting ◽

Photoelectron Spectra ◽

X Ray ◽

Fracture Surfaces ◽

New Interpretation

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Curve fitting complex X-ray photoelectron spectra of graphite-supported copper nanoparticles using informed line shapes

Applied Surface Science ◽

10.1016/j.apsusc.2019.143841 ◽

2020 ◽

Vol 505 ◽

pp. 143841 ◽

Cited By ~ 2

Author(s):

Vincent Fernandez ◽

Daniyal Kiani ◽

Neal Fairley ◽

François-Xavier Felpin ◽

Jonas Baltrusaitis

Keyword(s):

Copper Nanoparticles ◽

Curve Fitting ◽

Photoelectron Spectra ◽

X Ray ◽

Line Shapes

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X-ray photoelectron spectra of inorganic molecules. 12. Chlorine 2p binding energies of dinuclear chloro anions and mononuclear chloro cations of the transition metals

Inorganic Chemistry ◽

10.1021/ic50166a014 ◽

1976 ◽

Vol 15 (12) ◽

pp. 3014-3018 ◽

Cited By ~ 26

Author(s):

J. R. Ebner ◽

D. L. McFadden ◽

D. R. Tyler ◽

R. A. Walton

Keyword(s):

Transition Metals ◽

Binding Energies ◽

Photoelectron Spectra ◽

X Ray ◽

Inorganic Molecules

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X-ray photoelectron spectra of inorganic molecules. 28. Sulfur 2p binding energies of molybdenum complexes believed to contain a coordinated partial disulfide bond

Inorganic Chemistry ◽

10.1021/ic50219a058 ◽

1981 ◽

Vol 20 (5) ◽

pp. 1614-1616 ◽

Cited By ~ 11

Author(s):

W. S. Mialki ◽

E. I. Stiefel ◽

A. E. Bruce ◽

R. A. Walton

Keyword(s):

Disulfide Bond ◽

Binding Energies ◽

Photoelectron Spectra ◽

Molybdenum Complexes ◽

X Ray ◽

Inorganic Molecules

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XPS Spectra of Spin-Triplet Cobalt(III) Complexes

Zeitschrift für Naturforschung B ◽

10.1515/znb-1979-1027 ◽

1979 ◽

Vol 34 (10) ◽

pp. 1468-1470 ◽

Cited By ~ 14

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.

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The X-ray photoelectron spectra of inorganic molecules. XI1. Fluorine 1s binding energies in metal fluorides

Journal of Solid State Chemistry ◽

10.1016/s0022-4596(76)80016-3 ◽

1976 ◽

Vol 17 (4) ◽

pp. 447-449 ◽

Cited By ~ 10

Author(s):

J.R. Ebner ◽

D.L. McFadden ◽

R.A. Walton

Keyword(s):

Binding Energies ◽

Photoelectron Spectra ◽

X Ray ◽

Metal Fluorides ◽

Inorganic Molecules

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X-ray photoelectron spectra of inorganic molecules. 22. Halogen core electron binding energies of low oxidation state molybdenum bromide and molybdenum iodide clusters and niobium and tantalum chlorides containing the [M6Cl12]n+ cores

Inorganic Chemistry ◽

10.1021/ic50192a063 ◽

1979 ◽

Vol 18 (2) ◽

pp. 484-488 ◽

Cited By ~ 24

Author(s):

S. A. Best ◽

R. A. Walton

Keyword(s):

Oxidation State ◽

Binding Energies ◽

Photoelectron Spectra ◽

Core Electron ◽

X Ray ◽

Low Oxidation State ◽

Inorganic Molecules ◽

Electron Binding Energies ◽

Electron Binding

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Exploiting XPS for the identification of sulfides and polysulfides

RSC Advances ◽

10.1039/c5ra14915k ◽

2015 ◽

Vol 5 (93) ◽

pp. 75953-75963 ◽

Cited By ~ 130

Author(s):

Marzia Fantauzzi ◽

Bernhard Elsener ◽

Davide Atzei ◽

Americo Rigoldi ◽

Antonella Rossi

Keyword(s):

Curve Fitting ◽

Photoelectron Spectra ◽

X Ray ◽

Auger Spectra ◽

First Time

The identification of surface sulfide and polysulfide species based on the curve fitting of S2p photoelectron spectra and, for the first time, of X-ray excited S KLL Auger spectra has been performed.

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Analysis of X-ray Photoelectron Spectra through Their Even Derivatives

Applied Spectroscopy ◽

10.1366/0003702794925291 ◽

1979 ◽

Vol 33 (5) ◽

pp. 502-509 ◽

Cited By ~ 10

Author(s):

Attila E. Pavlath ◽

Merle M. Millard

Keyword(s):

Curve Fitting ◽

Photoelectron Spectroscopy ◽

Least Square ◽

Photoelectron Spectra ◽

Original Position ◽

Noise Background ◽

X Ray ◽

Fitting Procedures ◽

Higher Derivatives ◽

Derivatives Of

The analysis of organic and inorganic surfaces can be carried out very effectively with the aid of x-ray photoelectron spectroscopy. In many cases, however, the presently available methods and techniques for data treatment resolutions are not suitable for the qualitative and quantitative identification of the various forms of a given atom on the same surface. The number of components and a good approximation of their original position in the composite curve must be known to use the available curve fitting procedures, otherwise the evaluation can be unreliable. It is suggested that the second and higher even derivatives of the composite could provide these data. The possibility of applying even derivatives of composite curves in combination with a nonlinear least square curve fitting program was investigated. It was found that depending on the noise background of the spectra, the resolution could be improved through this method. The resolution is dependent on the half-width of the component curves, their separation, and ratio. Both Gaussian and Lorentzian curves can be resolved, but the resolution of the latter is easier. The resolution is increasing with higher derivatives; however, increased smoothing must be applied at each step to neutralize the influence of the noise background.

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