Sum frequency generation (SFG) vibrational spectroscopy is applied to ambient pressure surface science studies of adsorption and catalytic reactions at solid/gas interfaces.

Equilibrium geometry, electronic structures, and vibrational modes of CoB8- were investigated in the PBEPBE/6-311+G(d,p) level of theory. The nucleus independent chemical shift (NICS) analysis and magnetizability values were used for studying of aromaticity in CoB8-. The effects of different solvents on the structure and frontier orbital energies were calculated using the polarizable continuum ...

Most organic compounds provide vibrational spectra within the CH stretching region, yet the signal is difficult to interpret because of multiple difficulties in experiment and modeling. To better understand various factors involved, the ability of several harmonic and anharmonic computational approaches to describe these vibrations was explored for α-pinene, fenchone, and camphor as test compou...

A novel chiral open-framework fluoroaluminophosphate [C4N3H16][Al6P3O12F6(OH)6] was hydrothermally synthesized using diethylenetriamine as a structure-directing agent. The significant enantiomeric excess of the bulk product was confirmed by the solid state vibrational circular dichroism (VCD) spectrum.

First order Doppler effects are usually ignored in laser driven trapped ions when the recoil frequency is much smaller than the trapping frequency (Lamb-Dicke regime). This means that the central, carrier excitation band is supposed to be unaffected by vibronic transitions in which the vibrational number changes. While this is strictly true in the Lamb-Dicke limit (infinitely tight confinement)...

Vibrational transitions contain some of the richest fingerprints of molecules and materials, providing considerable physicochemical information. Vibrational transitions can be characterized by different spectroscopies, and alternatively by several imaging techniques enabling to reach sub-microscopic spatial resolution. In a quest to always push forward the detection limit and to lower the numbe...

The vibrational energy relaxation of a selected vibrational mode in cytochrome c--a C-D stretch in the terminal methyl group of Met80--has been studied using equilibrium molecular dynamics simulation and normal mode analysis methods. As demonstrated in the pioneering work of Romesberg and co-workers, isotopic labeling of the C-H (to C-D) stretch in alkyl side chains shifts the stretching freque...

Electric fields of coherent Raman signals are resolved with sensitivity for high-frequency vibrational resonances utilizing a four-pulse, trapezoidal beam geometry in a diffractive optic-based interferometer. Our experiments show that the heterodyne detected signal phase is stabilized for particular terms in the third-order response function by the cancellation of inter-pulse phases. The C-H st...

We consider a single Chua’s circuit and a system of a unidirectionally coupled n-Chua’s circuits driven by a biharmonic signal with two widely different frequencies ω and Ω, where Ω ω. We show experimental evidence for vibrational resonance in the single Chua’s circuit and undamped signal propagation of a low-frequency signal in the system of n-coupled Chua’s circuits where only the first circu...