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See detailProbing ultrafast purely electronic charge migration in small peptides
Remacle, Françoise ULg; Levine, R. D.

in Zeitschrift Fur Physikalische Chemie-International Journal Of Research In Physical Chemistry & Chemical Physics (2007), 221(5), 647-661

A pump-probe experiment that can examine a pure charge migration on a time scale short compared to the onset of nuclear motion is discussed. The mass spectrometric studies of Schlag et al. suggest that ... [more ▼]

A pump-probe experiment that can examine a pure charge migration on a time scale short compared to the onset of nuclear motion is discussed. The mass spectrometric studies of Schlag et al. suggest that short peptide terminated by an aromatic amino acid are particularly suitable test compounds. The pump pulse needs to ionize the molecule on a time scale short compared to the period of the electronic motion, typically sub-fs. However, ionization occurs preferentially when the electrical field of the light is maximal so that the duration of the pulse envelope can be somewhat longer. Detection by photoelectron spectrometry of the peptide cation, to produce a dication, is shown to be able to probe the electronic rearrangement. [less ▲]

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See detailNear and far infrared transitions of Fe2+ in cubic II-VI semiconductors: Dynamic Jahn-Teller interaction
Colignon, David ULg; Kartheuser, Eduard ULg

in Zeitschrift Fur Physikalische Chemie-International Journal Of Research In Physical Chemistry & Chemical Physics (1997), 201(Part 1), 119-126

Optical-absorption and emission measurements of doubly ionized iron in CdTe, ZnTe, ZnSe and ZnS have been analyzed by means of a vibronic coupling model. The model [1] is based on the crystal-field theory ... [more ▼]

Optical-absorption and emission measurements of doubly ionized iron in CdTe, ZnTe, ZnSe and ZnS have been analyzed by means of a vibronic coupling model. The model [1] is based on the crystal-field theory, including spin-orbit and spin-spin interactions and Jahn-Teller couplings of the orbital doublet and triplet states of Fe2+ with overtones of phonons of Gamma(3) and Gamma(5) symmetries, respectively. Starting from the 25 spin-orbit wave functions appropriate to the orbital doublet and triplet manifolds, the symmetry-adapted vibronic basis is constructed and used to diagonalize the Hamiltonian matrix formed out of five blocks of symmetry Gamma(1), Gamma(2), Gamma(3), Gamma(4) and Gamma(5). Phonon overtones up to N=6 for the Gamma(3) phonon and up to N=10 for the Gamma(5) phonon were included to ensure convergence of the energy values and eigenfunction of the vibronic states. The available measured positions and relative intensities of the spectral lines in the near and far infrared are accounted for within the experimental accuracy. It is shown that the above mentioned iron based II-VI compounds (ZnS:Fe2+ excepted) exhibit a strong dynamic Jahn-Teller coupling of the upper orbital triplet state with phonons of Gamma(5) symmetry and that the spin-orbit interaction between the orbital doublet and triplet states of Fe2+ is essential to explain the data. [less ▲]

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