Coherent three-pulse spectroscopy of coupled vibrations in a rigid dipeptide: density functional theory simulations

Article Abstract:

The full quartic six-mode force field for the NH, CO, and CN stretches of the peptide bonds of a cyclic dipeptide rigidly held by a bridge is computed at the ab initio level and used for the simulation of two-dimensional three-pulse femtosecond infrared measurements. The analysis of the complete set of one- and two-color signals generated at all four possible wavevectors shows distinct signatures of anharmonicities, mode couplings, Fermi resonance, and relative transition dipole orientations.

Nitrogen Compounds, Chemistry, Physical and theoretical, Physical chemistry, Carbon compounds

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Characterization of the adsorption of Ru-bpy dyes on mesoporous TiO(sub 2) films with UV-Vis, Raman, and FTIR spectroscopies

Article Abstract:

The adsorption of a new dye [Ru(dcbpyH2)2(bpy-TPA2)](PF6)2, and (Bu4N)2-[Ru(dcbpyH)2(NCS)2] complex on mesoporous anatase films were investigated. The results of the Raman experiments at different excitation wavelengths demonstrate that photoinduced charge-transfer processes take place efficiently between the adsorbate and substrate.

Semiconductors and related devices, Semiconductor and Related Device Manufacturing, Thin Film Materials, Thin films, Dielectric films, Titanium dioxide, Adsorption, Atomic properties

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Microscopic heterogeneities in the electrical properties of SiC as studied with single-molecule spectroscopy

Article Abstract:

Electric-field measurements of single-molecule lines, where the chromophores are embedded in a polymeric matrix on a SiC substrate is reported. Upon fast switching of the external field, almost all chromophores showed a slow spectral creeping behavior, the time dependence of which was nonexponential in most cases.

Silicon Carbide, Usage, Molecular dynamics, Silicon carbides

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