In the present work, we reported a combined experimental and theoretical study on molecular structure and vibrational analysis of N-phenylethanolamine (NPEA). FT-IR and FT-Raman spectra of the title compound in the solid phase are recorded in the region 4000–400 cm and 3500–100 cm, respectively. The structural and spectroscopic data of the molecule in the ground state is calculated using densit...

2014 The relaxation of the electron energy distribution function (edf) in N2 post discharge regime has been studied by solving the Boltzmann equation without the term due to the electric field. The results have been obtained both in the presence and in the absence of superelastic vibrational collisions. In the first case the electron energy distribution function relaxes toward nearly time indep...

Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spec...

We employ the velocity map imaging technique to measure kinetic energy and angular distributions of state selected CH(3) (v(2)=0,1,2,3) and Br ((2)P(3/2), (2)P(1/2)) photofragments produced by methyl bromide photolysis at 215.9 nm. These results show unambiguously that the Br and Br( *) forming channels result in different vibrational excitations of the umbrella mode of the methyl fragment. Low...

The present symposium brings together research in a number of fields: the quantum-chemical calculation of molecular potential-energy surfaces, rotational-vibrational spectroscopy, methods of calculating rotational-vibrational energy levels, unimolecular reactions and intramolecular dynamics. Several aspects of the work are discussed, including some recent developments on rates and products' qua...

Velocity map imaging has been used to measure the distributions of translational energy released in the dissociation of p-difluorobenzene-Ar van der Waals complexes from the 5(1), 3(1), 5(2), 3(1)5(1), 5(3), 3(2), and 3(2)5(1) states. These states span 818-3317 cm(-1) of vibrational energy and correspond to a range of energies above dissociation of 451-2950 cm(-1). The translational energy rele...

This study is based on experimental results obtained from a test rig for a 2-DOF vibrational system. The main feature of this test rig is an electromechanical actuator which enables the variation of a mechanical stiffness parameter. The vibrational system is excited by this device, resulting in a parametrically excited system. In this study, the test rig is operated such that an initial deflect...

Enzyme-catalysed reactions span a wide range of reaction types and mechanisms. In many cases the rate-determining step is the transfer of a proton, hydride ion, or hydrogen atom; such reactions are almost always dominated by quantummechanical tunnelling. The effective barrier for tunnelling is highly dependent on the evolution of zero-point energy along the reaction path, and zero-point energy ...