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- Preobrajenski, Alexei, et al.
(author)
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Molecular effects in solid NaNO3 observed by x-ray absorption and resonant Auger spectroscopy
- 2002
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In: Physical Review B (Condensed Matter and Materials Physics). - 1098-0121. ; 65:20
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Journal article (peer-reviewed)abstract
- X-ray absorption and resonant Auger spectroscopy were used to study the formation and decay of nitrogen and oxygen core excitations in ionic-molecular solid NaNO3. It has been shown that the most prominent features in the electronic structure of both valence and conduction bands of the NaNO3 crystal are determined by molecular states of the quasi-isolated NO3- group. In the Auger decay following the strongly localized N 1s-->2a(2)(')(pi) and O 1s-->2a(2)(')(pi) core excitations both spectator and participator signals of extremely high intensity have been found. The nuclear out-of-plane motion inside the NO3- group has been shown to be observable by resonant Auger spectroscopy as a strongly non-Raman dispersion of individual participator features upon tuning the photon energy across the N 1s-->2a(2)(')(pi) and O 1s-->2a(2)(')(pi) resonances. All results on electronic and vibrational properties of NaNO3 are compared with those of the gas-phase BF3 molecule, which is isoelectronic and isostructural to the NO3- group.
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- Preobrajenski, Alexei, et al.
(author)
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Molecular nature of resonant x-ray scattering in solid LiNO3
- 2004
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In: Physical Review B (Condensed Matter and Materials Physics). - 1098-0121. ; 69:11
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Journal article (peer-reviewed)abstract
- Resonant x-ray emission spectroscopy has been applied to study radiative decay processes following the N 1s near-edge excitations in solid LiNO3. It has been shown that the origin of both nonresonant and resonant spectra are essentially molecular, their shape being primarily determined by the electron transitions between molecular orbitals of the quasiisolated NO3- anion. A strong low-energy sideband observed in the recombination spectrum following the N 1s(-1)pi(*) excitation is attributed to the effect of dynamical x-ray emission accompanying the D-3h-->C-3v distortion of the core-excited NO3- species.
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- Preobrajenski, Alexei, et al.
(author)
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Resonant Auger spectroscopy in solid alkali nitrates as a probe of nuclear motion in the core-excited NO3- anion
- 2003
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In: Chemical Physics Letters. - 0009-2614. ; 368:1-2, s. 125-131
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Journal article (peer-reviewed)abstract
- We investigate the interplay between electronic and nuclear relaxation of the core-excited NO3 anion in solid LiNO3 and NaNO3 by means of the high-resolution X-ray absorption and resonant Auger spectroscopy. It is shown how the relative energy distances between the potential energy surfaces of the intermediate and final states can be mapped using the information on the dispersion of individual participator Auger features upon scanning the photon energy across the resonance. The influence of the cation nature (Li+ or Na+) on the potential surfaces is traced and found to be minimal as a consequence of the rather ionic cation-anion interaction. (C) 2002 Published by Elsevier Science B.V.
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- Preobrajenski, Alexei, et al.
(author)
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Strong Participator Channels in the Non-Radiative Resonant Decay of B 1s Excitation in B2O3
- 2005
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In: Physica Scripta. - 0031-8949. ; T115, s. 1071-1073
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Journal article (peer-reviewed)abstract
- We observe and analyze a considerable enhancement of photoelectron intensity of the valence band features in solid B2O3 upon tuning the photon energy across the B 1s → π*2pz resonance. This enhancement is an evidence of the strong 2p electron correlations in pre-edge photoionization dynamics in boron oxide. Such strength of the correlation is unusual for a solid, whose valence band is composed of only s and p electrons. We assign these effects to the considerable spatial localization of the highest occupied and lowest unoccupied electronic states of boron oxide on the BO33- quasimolecular anion, as well as to the strong 2p electron coupling between them. Solid state effects in the electronic structure and B 1s → π* decay dynamics are found to be minor, while molecular effects of the BO33- fragment are dominating.
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