We present theoretical thermally averaged rate constants for vibrational and rotational (de-)excitation of the H3 ion by electron impact. The constants are calculated using the multichannel quantum-defect approach. The calculation includes processes that involve a change | J | ≤ 2 in the rotational angular momentum J of H3 . The rate constants are calculated for states with J ≤ 5 for rotational...

The coupling between the OD stretch v=2 level and benzene-ring modes in 2-methoxyphenol-OD (hydroxyl H replaced by D) is observed with ultrafast two-dimensional (2D) IR vibrational echo spectroscopy. Because of this coupling, the 1-2 transition peak in the 2D spectrum is split into a doublet with peaks of approximately equal amplitudes. Several molecules and solvents were used to study this phe...

Picosecond time-resolved IR-UV pump-probe spectroscopy has been carried out to elucidate vibrational energy relaxation (VER) of the NH stretching vibrations of 2-aminopyridine monomer (2AP) and dimer [(2AP)(2)] in supersonic beams. In bare 2AP, intramolecular vibrational energy redistribution (IVR) of the NH vibrations is described by the two-bath mode model, in which the initial vibrational en...

In order to use a collection of trapped ions for experiments where a well defined preparation of vibrational states is necessary, all vibrational modes have to be cooled to ensure precise and repeatable manipulation of the ions’ quantum states. A method for simultaneous sideband cooling of all axial vibrational modes is proposed. By application of a magnetic field gradient the absorption spectr...

Picosecond time-resolved IR-UV pump-probe spectroscopy has been carried out in order to elucidate vibrational energy relaxation (VER) of the NH stretching vibrations of 2-aminopyridine monomer (2AP) and dimer ((2AP)2) in supersonic beams. In bare 2AP, intramolecular vibrational energy redistribution (IVR) of the NH vibrations is described by the two bath mode model, where the initial vibrationa...

The self-consistent charge density-functional tight-binding (SCC-DFTB) method is employed for studying various molecular properties of small fullerenes: C(28), C(60), and C(70). The computed bond distances, vibrational infrared and Raman spectra, vibrational densities of states, and electronic densities of states are compared with experiment (where available) and density-functional theory (DFT)...

We show how entangled qubits can be encoded as entangled coherent states of two–dimensional centre-of-mass vibrational motion for two ions in an ion trap. The entangled qubit state is equivalent to the canonical Bell state, and we introduce a proposal for entanglement transfer from the two vibrational modes to the electronic states of the two ions in order for the Bell state to be detected by r...

The K-VV Auger spectrum of carbon monoxide (CO) excited by C 1s photoionization has been investigated with a novel electron-electron coincidence setup. The energy resolution is sufficiently high to resolve the vibrational energy levels of the core-ionized intermediate state and of most dicationic final states in the two-dimensional electron energy map. We demonstrate how the influence of vibrat...

Two-dimensional electron energy-loss spectra of acrylonitrile are presented in the incident energy range 0.095-0.9 eV, where the incoming electron is temporarily captured in the lowest π* orbital. The cross section is plotted as a function of the incident electron energy that determines which vibrational resonant anion state is populated, and of the electron energy loss, that shows into which f...