Sum frequency vibrational spectra for hexadecanethiol (HDT) adsorbed on thin gold film deposited on the surface of a CaF2 prism have been measured using total-internal reflection broad-bandwidth sum frequency generation (TIR-BBSFG) spectroscopy. The bands attributed to the CH3 symmetric and asymmetric stretching vibrational modes were observed in the sum frequency vibrational spectra. The orien...

We report high-resolution anion photoelectron spectra of thiozonide (S3(-)) acquired by slow electron velocity-map imaging (SEVI). The ions were cryogenically cooled within an ion trap before photodetachment. We measure an electron affinity of 2.3630(9) eV, resolving discrepancies in previously reported photoelectron spectra that resulted from the presence of vibrational hot bands. The SEVI spe...

Using photoelectron spectroscopy in combination with synchrotron radiation, we have observed previously inaccessible vibrational excitation of HI+ X 2113,z, X 2111,2 final ionic states. The vibrational enhancement is shown to be caused by strongly predissociating autoionization resonances converging to HI+ A ?Z+. Molecular vibrational constants are extracted from the photoelectron spectra obtai...

In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy-trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Ba...

The infrared (IR) spectrum of solid C60 exhibits many weak vibrational modes. Symmetry breaking due to C isotopes provides a possible route for optically activating IR-silent vibrational modes. Experimental spectra and a semi-empirical theory on natural abundance and C-enriched single crystals of C60 are presented. By comparing the experimental results with the theoretical results, we exclude t...

Vibrational Spectra of Tetraphosphorus decasulfide P4S10 The solid state i.r. and the solid an molten state Raman spectra of the cage compound P4S10 have been recorded. An assignment of the vibrational frequencies, mainly based on polarization data, is proposed. For P 4S i 0 an improved preparation method is reported. During melting the P4S10 units remain unchanged but partly lose terminal sulf...

Vibrational properties of graphene nanoribbons are examined with density functional based tight-binding method and non-resonant bond polarization theory. We show that the recently discovered reconstructed zigzag edge can be identified from the emergence of high-energy vibrational mode due to strong triple bonds at the edges. This mode is visible also in the Raman spectrum. Total vibrational den...

The PFI-ZEKE spectra of the first four vibrational levels of O;(a “n,) are reported. The rotationally resolved photoelectron spectra were assigned by diagonalizing the appropriate Hamiltonian in a Hund’s case a basis set. An extension of a previous model for rotational line strengths (the BOS model) to the intermediate coupling case was applied to the three vibrational bands with v+ = 1-3. As h...

Inelastic neutron-scattering spectra were measured on stoichiometric Fe0.50Cr0.50 prepared as a bodycentered-cubic bcc solid solution, and after increasing amounts of chemical unmixing on the bcc lattice induced by annealing the solid solution at 773 K. These spectra were reduced by a conventional procedure to a neutron-weighted vibrational density of states. Mössbauer spectrometry was used to ...