Final state multiple structures in photoionization of the inner valence shell of H2S: angular distribution in the 40–70 e V photon energy range

Adam, M. Y.; Cauletti, C.; Piancastelli, M. N.

doi:10.1016/0368-2048(87)85001-6

Cited by 32 publications

(21 citation statements)

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…If we take the measurements by French et al 23 as a reference, the first two peaks can be related to our second and third states displayed in Table 4, as mentioned above. The fifth and sixth states, with a high contribution of the (4a 1 -1 ) process, are involved in the two peaks experimentally located at 23.05 and 23.57 eV, respectively (values in column 6 of Table 5 in ref 21), as well as with those calculated by Ehara et al 40 at the respective energies of 23.20 and 23.62 eV, and with a high intensity. The rest of the peaks are of difficult assignment, given the intricate manifold of states of the H 2 S + cation.…”

Section: Resultsmentioning

confidence: 89%

“…24 Nevertheless, it was finally accepted as belonging to the H 2 S spectrum. 15,17,25 On the other hand, the studies of Adam et al 21 and French et al 23 led to the conclusion that the peaks appearing in the range 19-26 eV may be described as the poles of many-body processes arising from the 2 A 1 (4a 1 -1 ) hole state. Hence, we have focused our efforts on the 19-26 eV energy range that concerns the states of H 2 S + with 2 A 1 symmetry in order to get some additional information on the band at 19.4-19.6 eV, as well as on the other peaks.…”

Section: Introductionmentioning

confidence: 96%

See 1 more Smart Citation

Vertical Excitation Energies and Ionization Potentials of H₂S. A Size-Consistent Self-Consistent Singles and Doubles Configuration Interaction (SC)²-MR-SDCI Calculation

Pitarch‐Ruiz¹,

Sánchez‐Marín²,

Martı́n³

et al. 2002

J. Phys. Chem. A

View full text Add to dashboard Cite

The size-consistent self-consistent singles and doubles configuration interaction method using both multireference (MR) and complete active space (CAS) as SDCI generator spaces has been used to calculate both vertical excitation energies and vertical ionization potentials for the H 2 S molecule. A basis set of ANO functions, [4s3p2d1f] for S and [2s1p] for H, has been augmented with an adapted set of 4s4p4d2f Rydberg functions that have been built explicitly for this study. Several open questions concerning the vertical spectrum of the H 2 S are discussed. Rydberg states of f character have been calculated for the first time. Transitions to the outer-valence 2 B 1 (2b 1 -1 ), 2 B 2 (2b 2 -1), and 2 A 1 (5a 1 -1 ) states and the inner-valence 2 A 1 (4a 1 -1 ) state of the H 2 S + cation have also been dealt with. The occurrence of a peak at an energy below the excitation of the 2 A 1 (4a 1 -1 ) state and of various peaks associated to the (4a 1 -1 ) hole state in the photoelectron spectrum are discussed.

show abstract

Section: Resultsmentioning

confidence: 89%

Section: Introductionmentioning

confidence: 96%

Vertical Excitation Energies and Ionization Potentials of H₂S. A Size-Consistent Self-Consistent Singles and Doubles Configuration Interaction (SC)²-MR-SDCI Calculation

Pitarch‐Ruiz¹,

Sánchez‐Marín²,

Martı́n³

et al. 2002

J. Phys. Chem. A

View full text Add to dashboard Cite

show abstract

“…& photoelectron satellite structure of HzS was proposed by Adam, Cauletti, and Piancastelli [9] to be due to the interaction between a single-hole configuration with excited configuration having two holes in outer valence orbitals and one electron in an unoccupied orbital. If the excited HzS molecule decays directly by participator Auger decay (excited electron taking part in the Auger decay) the photopeak intensities would increase.…”

Section: The 4amentioning

confidence: 98%

“…High-resoluton photoelectron spectra of H2S by Adam and co-workers [9,10] [11] showed broad structures at the 165-167-eV photon energy region. The energy of the incoming radiation beam was tuned in our measurements across this broad resonance structure.…”

Section: Introductionmentioning

confidence: 97%

Decay channels of core-excitedH2S studied by synchrotron-radiation-excited photoelectron spectroscopy

Aksela

Brito

et al. 1992

Phys. Rev. A

View full text Add to dashboard Cite

The 2p(3a&) to 6a& and 3b& photoexcitation resonance of H2S has been studied using synchrotronradiation-excited photoelectron spectroscopy. The overall shape of the measured photoelectron spectrum of H2S is found to be in close resemblance with the normal Auger-electron spectrum of HCl. The spectrum is assumed to result mainly from the Auger decay in the excited HS molecule taking place after the molecular dissociation of the excited H2S molecule. The finding is compared with the results of multiconfiguration self-consistent-field calculations [A.N. de Brito and H. Agren, following paper, Phys. Rev. A 45, 7953 (1992)].

show abstract

“…By the same token, similar high-resolution EMS measurements will also be needed before definitive statements can be made as to similarities (or differences) in spectroscopic factors in EMS and PES (allowing for photon-energy variation). Therefore speculations made in the case of atoms (19,20,(25)(26)(27)(28)(29)(30)(31)38,40,41,54) and also recently for molecules (73)(74)(75) as to the viability of the approximations and reaction model (21) presently used in the EMS (binary (e,2e) spectroscopy) that are based on a comparison between resolutionless calculations, medium-resolution PES, and. lower-resolution EMS spectra, are premature.…”

Section: Xe 5 S Spectrummentioning

confidence: 99%

Investigation of electron correlation effects in the inner-valence photoelectron spectra of argon and xenon using synchrotron radiation at high resolution

Brion¹,

Bawagan²,

Tan³

1988

Can. J. Chem.

View full text Add to dashboard Cite

High-resolution, magic angle photoelectron spectra have been obtained for the Ar 3 s and Xe 5s inner-valence regions using photon energies in the range 60-170 eV. Measurements were made using monochromatized synchrotron radiation from the Canadian Synchrotron Radiation Facility at the new 1-GeV storage ring at the University of Wisconsin. The binding energy spectra show detailed and complex structures due to electron correlation (many-body) effects. Relative satellite intensities are compared with the results of recent configuration-interaction calculations. Additional binding energy spectra obtained at much higher resolution (0.16 eV fwhm) than any previous published work show extremely detailed satellite structure consistent with information from recent high resolution fluorescence studies for argon. The newly revealed satellite structure provides further insight into existing differences between calculated and measured satellite intensities. In the case of the Ar 3s spectrum, very close agreement is predicted between the measured intensities and those calculated by CI methods when the previously unresolved satellite structure is taken into account. These new spectral observations also provide information and perspective relevant to recent controversies in the literature concerning intensities and mechanisms in photoelectron and electron momentum spectroscopies. obtenus i une rCsolution beaucoup plus grande (0,16 eV fwhm) que celles utilisees anterieurement, presentent une structure satellite extrgmement detaillee qui est en accord avec l'information obtenue a partir d'etudes recentes de fluorescence a haute resolution effectukes sur l'argon. La nouvelle structure satellite observee fournit une connaissance plus profonde sur les differences qui existent entre les intensites satellites calcultes et mesurkes. Dans le cas du spectre du Ar 3s, alors qu'on prend en consideration la structure satellite qui n'avait pas etk rksolue anterieurement, on observe une excellente correlation entre les intensites mesurees et celles calcul&es par les mkthodes des IC. Ces nouvelles observations spectrales fournissent aussi de l'information et une perspective qui presentent de l'intCr2t en relation avec les rkcentes controverses qui ont surgies dans la litterature concernant les intensites et les mecanismes des spectroscopies phototlectronique et du moment Clectronique.[Traduit par la revue] Introduction Photoelectron spectroscopy (PES) using vacuum ultraviolet radiation has provided detailed insight into valence-shell photoionization processes and the electronic structure of free atoms and molecules. Early He1 PES studies of the outer-valence np photoionization of the noble gases by Al-Joboury and Turner (1, 2), and also the elegant photoelectron studies of Ar, K r , and Xe by Frost, McDowell, and Vroom (3), using a spherical grid retarding spectrometer were seminal in the rise and development of ultraviolet PES. Today PES is a precise tool not only for the study of fundamental processes in photoionization, but also for the inv...

show abstract

Final state multiple structures in photoionization of the inner valence shell of H2S: angular distribution in the 40–70 e V photon energy range

Cited by 32 publications

References 15 publications

Vertical Excitation Energies and Ionization Potentials of H₂S. A Size-Consistent Self-Consistent Singles and Doubles Configuration Interaction (SC)²-MR-SDCI Calculation

Vertical Excitation Energies and Ionization Potentials of H₂S. A Size-Consistent Self-Consistent Singles and Doubles Configuration Interaction (SC)²-MR-SDCI Calculation

Decay channels of core-excitedH2S studied by synchrotron-radiation-excited photoelectron spectroscopy

Investigation of electron correlation effects in the inner-valence photoelectron spectra of argon and xenon using synchrotron radiation at high resolution

Contact Info

Product

Resources

About

Final state multiple structures in photoionization of the inner valence shell of H2S: angular distribution in the 40–70 e V photon energy range

Cited by 32 publications

References 15 publications

Vertical Excitation Energies and Ionization Potentials of H2S. A Size-Consistent Self-Consistent Singles and Doubles Configuration Interaction (SC)2-MR-SDCI Calculation

Vertical Excitation Energies and Ionization Potentials of H2S. A Size-Consistent Self-Consistent Singles and Doubles Configuration Interaction (SC)2-MR-SDCI Calculation

Decay channels of core-excitedH2S studied by synchrotron-radiation-excited photoelectron spectroscopy

Investigation of electron correlation effects in the inner-valence photoelectron spectra of argon and xenon using synchrotron radiation at high resolution

Contact Info

Product

Resources

About

Vertical Excitation Energies and Ionization Potentials of H₂S. A Size-Consistent Self-Consistent Singles and Doubles Configuration Interaction (SC)²-MR-SDCI Calculation

Vertical Excitation Energies and Ionization Potentials of H₂S. A Size-Consistent Self-Consistent Singles and Doubles Configuration Interaction (SC)²-MR-SDCI Calculation