Single-crystal Ni~dmit!2 salts, ~Ph4P!@Ni~dmit!2#3 , ~Bu4N!2@Ni~dmit!2#7•2CH3CN, and ~Me3S!@Ni~dmit!2#2 , have been synthesized. All show semiconducting behavior in their temperature-dependent dc conductivities. Room-temperature polarized reflectance measurements have been made over the range between 100 and 32 000 cm ~12 meV–4 eV!. For light polarized along the Ni~dmit!2 stacking axis, all spe...

Recent research on classical theories of unimolecular and bimolecular processes in two-mode systems has established the important role of dynamical bottlenecks in non-statistical behavior [ l-51. Previous work on long-time correlations in area preserving maps has identified two types of partial barrier to transport in chaotic regions of phase space [ 6-81. The first are invariant Cantor sets, c...

Near infrared spectroscopy (NIR) and two-dimensional correlation spectroscopy (2Dcos) were employed to study the dynamic self-disassociation behavior of hydrogen bonds in neat liquid pyrrole during heating. Two regions (7000-6430 cm(-1) for NH-related vibrational overtones and 6200-6100 cm(-1) for CH-related vibrational overtones and combination modes) are the focus of this paper, whose integra...

Spectroscopic investigations of macromolecules generally attempt to interpret the measured spectra in terms of the summed contributions of the different molecular fragments. This is the basis of the local mode approximation in vibrational spectroscopy. In the case of resonance Raman spectroscopy independent contributions of molecular fragments require both a local mode-like behavior and the unc...

We have examined the adsorption behavior at approximately 110 K of NO on NiO(111) overlayers prepared on a Ni(111) substrate. High-resolution electron-energy-loss spectroscopy shows fundamental changes in the vibrational spectrum for the beam dosed surface in comparison with the background dosed surface. Three vibrational peaks are observed after beam dosing, two of which are not observed after...

Hydrated polysaccharides are major constituents of cartilage and play an important role in its water-binding properties. Infrared (IR) spectroscopy and sorption isotherms have been used to investigate the hydration behavior of the glycosaminoglycans hyaluronic acid and chondroitin sulfate. IR-dichroism of the vibrational modes of the pyranose ring is found at relative humidities (RH) smaller th...

Graphene possesses excellent physical and chemical properties and has potential applications in nanobiological devices and nanoelectromechanical systems such as actuators [1], optoelectronics [2], and biosensors [3]. In addition, the vibrational properties play an important role in structural stability of nanoelectromechanical systems used in dynamic environments. In the recent years, several r...

The FTIR and FT-Raman spectra of 2,4,6-trimethylphenol (TMP) have been recorded in the regions 4000-400 cm and 3500-50 cm, respectively. The optimum molecular geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by ab initio Hartree–Fock (HF) and density functional theory (DFT/B3LYP) methods using 6-31+G(d,p) basis set. The normal mode...

Inelastic electron tunneling spectroscopy (IETS) using metal}insulator}metal (MIM) tunnel junctions is an established technique for studying the vibrational modes of molecules adsorbed on metal surfaces. We are examining a new geometry for IETS in which the oxide layer of the MIM junction is replaced by an atomically thin gas "lm. `Cleana junctions in which the barrier is composed of pure neon ...

Thermally induced gauche–trans isomerization and direct solute–solvent interactions of the solute, ethyl isocyanate ~EIC!, in the solvent, 2-methylpentane ~2MP!, are investigated using ultrafast infrared vibrational echo experiments and linear vibrational absorption spectroscopy of the isocyanate ~N5C5O! antisymmetric stretching mode ~2278 cm!. Both the EIC vibrational echo measured pure vibrat...