Core-level photoelectron and Auger shape-resonance phenomena in CO, CO2, CF4, and OCS

Truesdale, C. M.; Lindle, Dennis W.; Kobrin, P. H.; Becker, Uwe; Kerkhoff, H. G.; Heimann, P.; Ferrett, T. A.; Shirley, D. A.

doi:10.1063/1.446983

Cited by 84 publications

(22 citation statements)

References 35 publications

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“…This background curve was obtained at one of the Is-37T resonances where no photoelectrons are created and only the smooth secondary electron background produced by the fast auger electrons is present. Due to the high count rates the accuracy of the cross sections and f3 parameters is not limited by counting statistics but by uncertainties in the calibration data [17][18][19][20] and by our method of background subtraction in this region. However, the statistical quality, as well as the stability of the operating conditions and of our methods of data analysis, can be estimated from the low scatter in the experimental partial cross section and f3 parameter curves shown in Figs.…”

Section: Methodsmentioning

confidence: 99%

“…The transmission of the instrument has been determined with the same monochromator from carbon Is photoelectron spectra of CO and argon 2p spectra, whose cross sections and f3 parameters are fairly well known. [17][18][19][20] However, at the lower kinetic energies there are certain discrepancies between the CO-and argon-derived transmission curves which limit the accuracy near threshold. The intensity and the degree of polarization of the monochromatic synchrotron light have been determined from neon 2s and 2p measurements using the cross sections and f3 parameters of Wuilleumier.…”

Section: Methodsmentioning

confidence: 99%

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Angle-resolved photoelectron spectroscopy of the core levels of N2O

Schmidbauer

Kilcoyne

Randall

et al. 1991

The Journal of Chemical Physics

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We have measured photoionization cross sections and photoelectron asymmetry parameters for each of the core levels of N 2 0. We have also carried out frozen-and relaxed-core Hartree-Fock studies of these cross sections so as to better understand the underlying shape resonant structure and the role of electronic relaxation in these processes. A broad shape resonance is observed in each of the core-hole cross sections at 10-20 eV kinetic energy and there is some evidence of a second shape resonance near the thresholds, an energy region which is not accessible experimentally. The cross sections also exhibit site-specific behavior with maxima at widely separated photoelectron kinetic energies. These differences probably arise from the fact that photoelectron matrix elements for different core orbitals probe different regions of the shape resonant orbital which extends over the entire molecule. Although the higher energy shape resonances appear quite similar, Hartree-Fock studies show that the central nitrogen resonance is more sensitive to effects of electronic relaxation than the terminal nitrogen or oxygen resonances. Large differences are also seen between the photoelectron asymmetry parameters for the central and terminal atoms.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Angle-resolved photoelectron spectroscopy of the core levels of N2O

Schmidbauer

Kilcoyne

Randall

et al. 1991

The Journal of Chemical Physics

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“…Experimental data in the left and right panels correspond to non vibrationally resolved experimental data from Refs. [38], and [56] (circles) and [57] (squares), respectively. Figure 4.…”

Section: Randomly Oriented Moleculesmentioning

confidence: 99%

Vibrationally resolved photoelectron angular distributions from randomly oriented and fixed-in-space N₂and CO molecules

Plésiat

Decleva

Martín

2012

J. Phys. B: At. Mol. Opt. Phys.

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Abstract. Vibrationally resolved photoelectron angular distributions from randomly oriented and fixed-in-space N 2 and CO molecules have been evaluated by using an extension of the static-exchange density functional theory that includes the nuclear motion. Both K-shell and valence-shell photoionization have been considered. Comparison with the experimental data, only available for randomly oriented molecules, is very good. Our predictions for molecular-frame photoelectron angular distributions of N 2 show the signature of electron confinement and coherent two-center interferences as those previously found in H 2 . For CO, they exhibit diffraction patterns associated with the scattering of the ejected electron by the neighboring atomic center. The conclusions reported in this work suggest that vibrationally resolved photoelectron angular distributions can be a useful instrument to determine structure parameters in these simple molecules.

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“…In particular, a wealth of experimental and theoretical data has been published for total cross sections corresponding to core as well as valence-shell photoionization of the prototype N 2 1-35 and CO 1,2,5,6,12,13,34,[36][37][38][39][40][41][42][43][44][45][46][47][48][49] molecules, from the ionization threshold up to a few tens of eV above it. More recently, the advent of high-brilliance 3rd-generation synchrotron radiation sources in combination with high energy-resolution detection techniques has opened the way for the determination of vibrationally resolved photoionization spectra of these molecules, both at low and high photon energies 30,35,38,39,[50][51][52][53][54][55][56][57][58][59][60][61][62][63][64] .…”

Section: Introductionmentioning

confidence: 99%

Vibrational branching ratios in the photoelectron spectra of N2 and CO: interference and diffraction effects

Plésiat

Decleva

Martín

2012

Phys. Chem. Chem. Phys.

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Esta es la versión de autor del artículo publicado en: This is an author produced version of a paper published in: We present a detailed account of existing theoretical methods specially designed to provide vibrationally resolved photoionization cross sections of simple molecules within the Born-Oppenheimer approximation, with emphasis on newly developed methods based on density functional theory. The performance of these methods is shown for the case of N 2 and CO photoionization. Particular attention is paid to the region of high photon energies, where the electron wavelength is comparable to the bond length and, therefore, two-center interferences and diffraction are expected to occur. As shown in a recent work [Canton et al., Proc. Natl. Acad. Sci., 2011, 108, 73027306], the main experimental difficulty, which is to extract the relatively small diffraction features from the rapidly decreasing cross section, can be easily overcome by determining ratios of vibrationally resolved photoelectron spectra and existing theoretical calculations. From these ratios, one can thus get direct information about the molecular geometry. In this work, results obtained in a wide range of photon energies and for many different molecular orbitals of N 2 and CO are discussed and compared with the available experimental measurements. From this comparison, limitations and further possible improvements of the existing theoretical methods are discussed. The new results presented in the manuscript confirm that the conclusions reported in the above reference are of general validity.

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Core-level photoelectron and Auger shape-resonance phenomena in CO, CO2, CF4, and OCS

Abstract: Cross sections and angular-distribution asymmetry parameters were

Cited by 84 publications

References 35 publications

Angle-resolved photoelectron spectroscopy of the core levels of N2O

Angle-resolved photoelectron spectroscopy of the core levels of N2O

Vibrationally resolved photoelectron angular distributions from randomly oriented and fixed-in-space N₂and CO molecules

Vibrational branching ratios in the photoelectron spectra of N2 and CO: interference and diffraction effects

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Core-level photoelectron and Auger shape-resonance phenomena in CO, CO2, CF4, and OCS

Abstract: Cross sections and angular-distribution asymmetry parameters were

Cited by 84 publications

References 35 publications

Angle-resolved photoelectron spectroscopy of the core levels of N2O

Angle-resolved photoelectron spectroscopy of the core levels of N2O

Vibrationally resolved photoelectron angular distributions from randomly oriented and fixed-in-space N2and CO molecules

Vibrational branching ratios in the photoelectron spectra of N2 and CO: interference and diffraction effects

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Vibrationally resolved photoelectron angular distributions from randomly oriented and fixed-in-space N₂and CO molecules