147 research outputs found
Core excitation in Ozone localized to one of two symmetry-equivalent chemical bonds - molecular alignment through vibronic coupling
Core excitation from terminal oxygen O in O is shown to be an
excitation from a localized core orbital to a localized valence orbital. The
valence orbital is localized to one of the two equivalent chemical bonds. We
experimentally demonstrate this with the Auger Doppler effect which is
observable when O is core-excited to the highly dissociative
O1s7a state. Auger electrons emitted from the atomic oxygen
fragment carry information about the molecular orientation relative to the
electromagnetic field vector at the moment of excitation. The data together
with analytical functions for the electron-peak profiles give clear evidence
that the preferred molecular orientation for excitation only depends on the
orientation of one bond, not on the total molecular orientation. The
localization of the valence orbital "7a" is caused by mixing of the valence
orbital "5b" through vibronic coupling of anti-symmetric stretching mode
with b-symmetry. To the best of our knowledge, it is the first discussion
of the localization of a core excitation of O. This result explains the
success of the widely used assumption of localized core excitation in
adsorbates and large molecules
Angular emission distribution of O 1s photoelectrons of uniaxially oriented methanol
The angular distribution of O 1s photoelectrons emitted from uniaxially oriented methanol is studied experimentally and theoretically. We employed circularly polarized photons of an energy of hν = 550 eV for our investigations. We measured the three-dimensional photoelectron angular distributions of methanol, with the CH3–OH axis oriented in the polarization plane, by means of cold target recoil ion momentum spectroscopy. The experimental results are interpreted by single active electron calculations performed with the single center method. A comparative theoretical study of the respective molecular-frame angular distributions of O 1s photoelectrons of CO, performed for the same photoelectron kinetic energy and for a set of different internuclear distances, allows for disentangling the role of internuclear distance and the hydrogen atoms of methanol as compared to carbon monoxide
Resonant Auger spectroscopy at the L2,3 shake-up thresholds as a probe of electron correlation effects in nickel
The excitation energy dependence of the three-hole satellites in the
L3-M4,5M4,5 and L2-M4,5M4,5 Auger spectra of nickel metal has been measured
using synchrotron radiation. The satellite behavior in the non-radiative
emission spectra at the L3 and L2 thresholds is compared and the influence of
the Coster-Kronig channel explored. The three-hole satellite intensity at the
L3 Auger emission line reveals a peak structure at 5 eV above the L3 threshold
attributed to resonant processes at the 2p53d9 shake-up threshold. This is
discussed in connection with the 6-eV feature in the x-ray absorption spectrum.Comment: 8 pages, 4 figures; http://prb.aps.org/abstract/PRB/v58/i7/p3677_
Competition between decay and dissociation of core-excited OCS studied by X-ray scattering
We show the first evidence of dissociation during resonant inelastic soft
X-ray scattering. Carbon and oxygen K-shell and sulfur L-shell resonant and
non-resonant X-ray emission spectra were measured using monochromatic
synchrotron radiation for excitation and ionization. After sulfur, L2,3 ->
{\pi}*, {\sigma}* excitation, atomic lines are observed in the emission spectra
as a consequence of competition between de-excitation and dissociation. In
contrast the carbon and oxygen spectra show weaker line shape variations and no
atomic lines. The spectra are compared to results from ab initio calculations
and the discussion of the dissociation paths is based on calculated potential
energy surfaces and atomic transition energies.Comment: 12 pages, 6 pictures, 2 tables,
http://link.aps.org/doi/10.1103/PhysRevA.59.428
Probing doubly excited ionic states of N2+ via a triple excitation above the N 1s threshold in the N2 molecule
Angle-resolved resonant Auger-electron spectroscopy has been carried out on the nitrogen molecule at selected photon energies around 419 eV, where a 1s core electron and two valence electrons are promoted into the lowest unoccupied molecular orbital 1πg. Significant enhancement of a specific band, which cannot be disentangled in direct photoionization, is observed at a binding energy of 37.6 eV, with a value of the anisotropy parameter β much smaller than 2. We assign this new band to the transition to a doubly excited cationic state of N2, in which two of the excited valence electrons remain in the 1πg orbital, proposing a "double spectator" type decay mechanism. This observation shows how to preferentially probe multiply excited configurations of cations using multiple resonant excitation
Surface behavior of amphiphiles in aqueous solution: a comparison between different pentanol isomers
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