Intrinsic ionic centers in solid Xe

Grigorashchenko, O. N.; Sokolov, O. M.; Savchenko, E. V.; Agreiter, Jürgen; Caspary, Nico; Lammers, Andreas; Bondybey, V. E.

doi:10.1080/10420159908230155

Cited by 6 publications

(1 citation statement)

References 10 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The spectroscopic studies provide a strong support for a dimer conÐguration of these self trapped holes. 29,30 The ionization energy of hydrogen, 13.598 eV, exceeds substantially that of atomic xenon, 12.130 eV, and the even lower ionization potential of the dimer, and one might thus perhaps expect that in solid xenon a charge transfer from the proton to the xenon solid will take place, with hole formation. That Xe 2 this does not actually happen is due to the fact that the di †erence between the ionization potentials (B2 eV) is more than compensated by the large proton solvation energy in xenon, which consists essentially of the large 5.8 eV stabilization energy of the XeH`Xe cation.…”

Section: Positive Charge Stabilization In Solid Xenonmentioning

confidence: 99%

Proton solvated by noble-gas atoms: simplest case of a solvated ion

Beyer¹,

Lammers²,

Savchenko³

et al. 1999

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

The solvation of a proton by up to six rare-gas atoms He, Ne, Ar, Kr, and Xe is investigated by B3LYP density functional theory with large basis sets, forming the Ðrst systematic study of all rare gases, He through Xe, on the same high level of theory. The solvation energy for regular two-fold, trigonal planar, tetrahedral and octahedral coordination shows, as known previously, that the protonated rare gas dimer is the most stable conÐguration in every case. Solvation of a point charge by hard polarizable spheres yields the same preference for two-fold coordination. Two rare gas atoms shield the proton efficiently, and additional rare gas atoms may be coordinated in an equatorial plane or along the axis of the central protonated rare gas dimer, with binding energies and bond lengths comparable to those of the corresponding rare gas solids. The inÑuence of additional solvent atoms on the harmonic stretching frequencies is minor and cannot explain the large shift observed in low temperature matrices. Proton di †usion is examined by calculating the transition state for isomerization of species, which yields barrier heights of 8.8, 11.5, 29.7, 32.3, and 35.5 kJ mol~1 for He, Rg 3 HǸ e, Ar, Kr, and Xe, respectively. Geometries, harmonic frequencies, bond dissociation energies and partial charges of mixed protonated rare gas dimers reveal a consistently smooth trend of these properties with size and polarizability of the rare gas atoms. Based on these Ðndings, the assignment of spectral lines attributed to the mixed ArH`Kr, ArH`Xe, and KrH`Xe species is questioned. The stabilization of positive charge centers in solid Xe in the presence of hydrogen atoms is also discussed.

show abstract

Section: Positive Charge Stabilization In Solid Xenonmentioning

confidence: 99%

Proton solvated by noble-gas atoms: simplest case of a solvated ion

Beyer¹,

Lammers²,

Savchenko³

et al. 1999

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

Electronic and atomic relaxation processes in irradiated cryocrystals

Savchenko

Bondybey

2005

Physica Status Solidi (a)

Self Cite

View full text Add to dashboard Cite

Relaxation processes and stability of charge centers in preirradiated cryocrystals doped with atomic and molecular species are discussed. The study was performed combining techniques of spectrally resolved thermally stimulated luminescence (TSL), thermally stimulated exoelectron emission (TSEE) and photonstimulated exoelectron emission (PSEE). Comparison of the yields of electrons and photons in VUV and visible ranges made it possible to discriminate between reactions of charge carriers and neutral reactive species and find interconnection between atomic and electronic processes of relaxation. The radiative mechanism of electronic relaxation stimulation via an atomic subsystem is verified.

show abstract