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4. Atomic versus molecular Auger decay in CH2Cl2 and CD2Cl2 molecules.

Author

Santos, A. C. F., Vasconcelos, D. N., MacDonald, M. A., Sant'Anna, M. M., Tenório, B. N. C., Rocha, A. B., Morcelle, V., Appathurai, N., and Zuin, L.

Subjects
AUGER effect, VALENCE fluctuations, DICHLOROMETHANE, AB initio quantum chemistry methods, SELF-consistent field theory
Abstract

Autoionization spectra of CH2Cl2 and CD2Cl2 molecules after Cl 2p excitation are studied. The two molecular and atomic Auger transitions are examined and assigned. The contribution of atomic Auger transitions is lower in the deuterated molecule. In addition, to support the presence of the ultrafast dissociation mechanism in the dichloromethane molecule, a series of high-level ab initio quantum mechanical calculations were performed at multiconfigurational self-consistent field (MCSCF) and multireference configuration interaction (MRCI) levels of theory. Minimum energy pathways for the dissociation of the dichloromethane molecule have been calculated by taking into account the spin-orbit splitting between the singlet and triplet transitions in the Cl 2p edge. [ABSTRACT FROM AUTHOR]

Published
2018
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8. High-resolution gas phase P L-edge photoabsorption spectra of [PF.sub.5.sup.1]

Author

Hu, Y.F., Zuin, L., and Puttner, R.

Subjects
Absorption spectra -- Research -- Spectra, Phosphorus compounds -- Spectra -- Research, Fluorides -- Spectra -- Research, Chemistry, Research, Spectra
Abstract

Abstract: High-resolution photoabsorption spectra of P 2s and 2p levels of P[F.sub.5] are reported. Fine structure, due to spin-orbit and ligand field splittings together with strong vibrational progression, is resolved [...]

Published
2007

9. Evidence of ultrafast dissociation in the CHCl3 molecule

Author

Santos, A C F, primary, Vasconcelos, D N, additional, MacDonald, M A, additional, Sant’Anna, M M, additional, Tenório, B N C, additional, Rocha, A B, additional, Morcelle, V, additional, Bonfim, V S, additional, Appathurai, N, additional, and Zuin, L, additional

Published
2020
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11. Atomic and molecular Auger decay in CHCl3 molecule

Author

Vasconcelos, D N, primary, Santos, A C F, additional, Morcelle, V, additional, Macdonald, M A, additional, Sant’Anna, M M, additional, Tenório, B N C, additional, Rocha, A B, additional, Bonfin, V B, additional, Appathurai, N, additional, and Zuin, L, additional

Published
2020
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15. Ultrafast dissociation of CD2Cl2 and CH2Cl2

Author

Vasconcelos, D. N., primary, Santos, A. C. F., additional, MacDonald, M. A., additional, Sant’Anna, M. M., additional, Tenório, B. N. C., additional, Rocha, A. B., additional, Morcelle, V., additional, Appathurai, N., additional, and Zuin, L., additional

Published
2019
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16. Evidence of ultrafast dissociation in the CHCl3 molecule.

Author

Santos, A C F, Vasconcelos, D N, MacDonald, M A, Sant'Anna, M M, Tenório, B N C, Rocha, A B, Morcelle, V, Bonfim, V S, Appathurai, N, and Zuin, L

Subjects
SYNCHROTRON radiation, AUGER effect, ELECTRON distribution, EXCITED states, MOLECULES, DISSOCIATION (Chemistry), CHLOROHYDROCARBONS
Abstract

In the present work, we use tunable synchrotron radiation to investigate experimentally and theoretically the dissociation of a chlorinated methane, the CHCl3 molecule, by exciting a chlorine 2p core electron into the LUMO and LUMO + 1 orbitals. The Auger electron energy distribution measured at the Cl 2p3/2 → 10a1 resonance shows narrow lines which energies correspond to the Cl* → Cl+ atomic decay, a clear evidence that the Auger decay takes place after consummation of the dissociation, when the moieties were already far away from each other. Our experimental data are endorsed theoretically by a series of high-level ab initio quantum mechanical calculations. The excited states are calculated to be strongly repulsive in the Franck–Condon region (−dE/dy ∼ 0.15 a.u.) along the C–Cl bond direction. [ABSTRACT FROM AUTHOR]

Published
2021
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17. Communication: X-ray excited optical luminescence from TbCl3 at the giant resonance of terbium.

Author

Heigl, F., Jürgensen, A., Zhou, X.-T., Hu, Y.-F., Zuin, L., and Sham, T. K.

Subjects
TERBIUM, X-ray optics, LUMINESCENCE, OPTICAL resonance, ABSORPTION, RADIOACTIVE decay, ENERGY transfer
Abstract

We have studied the optical recombination channels of TbCl3 using x-ray excited optical luminescence at the N4,5 absorption edge of Tb (giant resonance) in both the energy and time domain. The luminescence exhibits a relatively fast 5D3, and a slow 5D4 decay channel in the blue and green, respectively. The rather short lifetime of the 5D3 state indicates that the decay is mainly driven by Tb-Tb ion interaction via non-radiative energy transfer (cross-relaxation). At the giant resonance the X-ray Absorption Near Edge Structure (XANES) recorded using partial photoluminescence yield is inverted. In the pre-edge region the contrast of the spectral feature is significantly better in optical XANES than in total electron yield. Changes in the intensity of 5D3-7F5 (544 nm) and 5D4-7F6 (382 nm) optical transitions as the excitation energy is tuned across the giant resonance are also noted. The results provide detailed insight into the dynamics of the optical recombination channels and an alternative method to obtain high sensitivity, high energy resolution XANES at the giant resonance of light emitting rare-earth materials. [ABSTRACT FROM AUTHOR]

Published
2013
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19. Ultrafast Dissociation of CD2Cl2 and CH2Cl2.

Author

Vasconcelos, D. N., Santos, A. C. F., MacDonald, M. A., Sant’Anna, M. M., Tenório, B. N. C., Rocha, A. B., Morcelle, V., Appathurai, N., and Zuin, L.

Subjects
AUGERS, ELECTRONS, ATOMS, MOLECULES
Abstract

In this paper, the ultrafast dissociation following Cl 2p core–shell excitation into the 10a1* antibonding orbital in CH2Cl2 and CD2Cl2 molecules is studied. It is observed the presence of atomic Auger lines associated to the decay of dissociated Cl* atoms. The choice of CH2Cl2 and CD2Cl2 molecules to study the competition between the atomic and molecular Auger decays, allow us to probe nuclear dynamics and electron relaxation occurring on a comparable time scale, keeping other parameters identical. [ABSTRACT FROM AUTHOR]

Published
2019
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20. The crystallization of MgO-Al2O3-SiO2-ZrO2 glass-ceramics with and without the addition of Y2O3-a combined STEM/XANES study

Author

Seidel, S., Patzig, C., Höche, T., Krause, M., Ebert, M., Hu, Y., Zuin, L., Gawronski, A., Rüssel, C., and Publica

Abstract

Glasses with the mol% composition of 51.9SiO2/21.2Al2O3/21.2MgO/5.7ZrO2 without and with the addition of 2.5 mol% Y2O3 were melted and subsequently transformed into glass-ceramics via annealing. Both glass-ceramics show strong differences in the microstructure and in the phase composition after crystallization at 950 °C for 5 h and subsequently at 1060 °C for different annealing times. In the glass without Y2O3, the main crystal phase is a quartz solid solution accompanied by the precipitation of ZrO2 and spinel. By contrast, glass-ceramics without the presence of a quartz solid solution were observed after the crystallization of the Y2O3-containing glass, using the same heat treatment. This is confirmed by analytical scanning transmission electron microscopy analysis and X-ray absorption near-edge structure spectroscopy data gathered at the Zr L2-, Y L2,3-, Si K- and Al L-edges. Furthermore, using X-ray absorption spectroscopy the coordination of the respective elements is analysed, and changes of the coordination during crystallization are monitored.

Published
2016

23. CsI(T1)-photodiode Detectors for [Gamma]-ray Spectroscopy

Author

Fioretto, E., Innocenti, F., Viesti, G., Cinausero, M., Zuin, L., Fabris, D., Lunardon, M., Nebbia, G., and Prete, G.

Subjects
Gamma rays -- Measurement, Photoelectrons -- Measurement, Business, Electronics, Electronics and electrical industries
Abstract

We report on the performances of CsI(T1)-photodiode detectors for [Gamma]-ray spectroscopy applications. Photoelectron yield and energy resolution have been measured for different crystals and read-out configurations.

Published
2000

35. Chemical fingerprinting of naphthenic acids and oil sands process waters—A review of analytical methods for environmental samples

Author

Headley, J. V., primary, Peru, K. M., additional, Mohamed, M. H., additional, Frank, R. A., additional, Martin, J. W., additional, Hazewinkel, R. R.O., additional, Humphries, D., additional, Gurprasad, N. P., additional, Hewitt, L. M., additional, Muir, D. C.G., additional, Lindeman, D., additional, Strub, R., additional, Young, R. F., additional, Grewer, D. M., additional, Whittal, R. M., additional, Fedorak, P. M., additional, Birkholz, D. A., additional, Hindle, R., additional, Reisdorph, R., additional, Wang, X., additional, Kasperski, K. L., additional, Hamilton, C., additional, Woudneh, M., additional, Wang, G., additional, Loescher, B., additional, Farwell, A., additional, Dixon, D. G., additional, Ross, M., additional, Pereira, A. Dos Santos, additional, King, E., additional, Barrow, M. P., additional, Fahlman, B., additional, Bailey, J., additional, Mcmartin, D. W., additional, Borchers, C. H., additional, Ryan, C. H., additional, Toor, N. S., additional, Gillis, H. M., additional, Zuin, L., additional, Bickerton, G., additional, Mcmaster, M., additional, Sverko, E., additional, Shang, D., additional, Wilson, L. D., additional, and Wrona, F. J., additional

Published
2013
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43. Time Resolved Studies of ZnO (Eu) Nanostructure Luminescence Using Short Synchrotron Radiation Pulses

Author

Heigl, F., primary, Jürgensen, A., additional, Zhou, X.-T., additional, Murphy, M., additional, Ko, J. Y. P., additional, Lam, S., additional, Sham, T. K., additional, Regier, T., additional, Blyth, R. I. R., additional, Coulthard, I., additional, Zuin, L., additional, Hu, Y.-F., additional, Armelao, L., additional, Gordon, R., additional, and Brewe, D., additional

Published
2007
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50. High-resolution gas phase P L-edge photoabsorption spectra of PF5.

Author

Hu, Y. F., Zuin, L., and Püttner, R.

Subjects
*LIGHT absorption, *SPECTRUM analysis, *LIGANDS (Chemistry), *RYDBERG states, *VIBRATION (Mechanics)
Abstract

High-resolution photoabsorption spectra of P 2s and 2p levels of PF5 are reported. Fine structure, due to spin-orbit and ligand field splittings together with strong vibrational progression, is resolved in the Rydberg region of the P 2p spectrum. A ligand field splitting of 31 meV for the 2p3/2 orbital is obtained from the fit of the Rydberg transitions. The Franck–Condon fit analysis revealed that the vibrational progression of the higher Rydberg states is different from that of the valence-Rydberg mixed 4s state. In particular, we derived a decrease in P–F bond distances of 12 and 28 pm for the 4s valence-Rydberg mixed state and the high nl Rydberg states, respectively. The natural linewidths of the P 2p levels were determined to be 55 meV. [ABSTRACT FROM AUTHOR]

Published
2007
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