Ionization of equatorial and axial conformational isomers of the chair-bromocyclohexane is investigated with use of the vacuum ultraviolet mass-analyzed threshold ionization (MATI) spectroscopic technique. Two distinct ionization energies of 9.8308 ± 0.0025 and 9.8409 ± 0.0025 eV are determined for equatorial or axial conformers, respectively. From the conformer-selective vibrational analysis, ...

Structural health monitoring and damage detection is one of the most important subjects for mechanic and aerospace engineers. Structural fault can cause uncompensated problems for both human and environment. There are several methods for solving this problem, but the most useful methods are those which focuse on structural change in the vibrational properties. This paper presents a feasibility ...

Electronic devices composed of single molecules constitute the ultimate limit in the continued downscaling of electronic components. A key challenge for single-molecule electronics is to control the temperature of these junctions. Controlling heating and cooling effects in individual vibrational modes can, in principle, be utilized to increase stability of single-molecule junctions under bias, ...

Transitions from normal-mode to local-mode states in the two bending oscillations of acetylene observed in spectroscopic studies, as well as the existence of localized vibrational states in vinylidene above the isomerization barrier to acetylene, are examined by constructing continuation/ bifurcation diagrams of periodic orbits on a global potential-energy surface. The principal families of per...

Rotational dynamics of solvated carbon dioxide (CO(2)) has been studied. The infrared absorption band of the antisymmetric stretch mode in acetonitrile is found to show a non-Lorentzian band shape, suggesting a non-exponential decay of the vibrational and/or rotational correlation functions. A combined method of a molecular dynamics (MD) simulation and a quantum chemical calculation well reprod...

Solvent collisions can often mask initial disposition of energy to the products of solution-phase chemical reactions. Here, we show with transient infrared absorption spectra obtained with picosecond time resolution that the nascent HCN products of reaction of CN radicals with cyclohexane in chlorinated organic solvents exhibit preferential excitation of one quantum of the C-H stretching mode a...

We first review how to determine the rate of vibrational energy relaxation (VER) using perturbation theory. We then apply those theoretical results to the problem of VER of a CD stretching mode in the protein cytochrome c. We model cytochrome c in vacuum as a normal mode system with the lowest-order anharmonic coupling elements. We find that, for the “lifetime” width parameter γ = 3 ∼ 30 cm, th...

Local vibrational mode (LVM) spectroscopy of hydrogen and deuterium in GaP, AlSb, ZnSe, and GaN has provided important information about the structures of dopanthydrogen complexes and their interaction with the host lattice. In GaN:Mg, for example, hydrogen binds to a host nitrogen which is adjacent to the magnesium acceptor. In GaP and ZnSe, it has been demonstrated that the temperature depend...

Time-average holographic interferometry has been employed to study how the vibrational modes of a singing wine glass change when it is filled with a liquid. While the liquid clearly lowers the resonance frequencies, it does not change the vibrational mode structure in a first approximation. A more detailed analysis, however, reveals that the presence of the liquid causes the simultaneous excita...

The CF3S radical has been investigated using the LIF and fluorescence depletion techniques. The vibrational structure of the first excited à A1 state has been assigned. The photodissociation process at energies above the origin of the à state has been characterized by fluorescence temporal decay and fluorescence depletion spectroscopy. Above the photodissociation threshold the ratio of the rate...