Deprotonated thymine can exist in two different forms, depending on which of its two N sites is deprotonated: N1[T-H]- or N3[T-H]-. Here we report a photodetachment study of the N1[T-H]- isomer cooled in a cryogenic ion trap and the observation of an excited dipole-bound state. Eighteen vibrational levels of the dipole-bound state are observed, and its vibrational ground state is found to be 23...

The accuracy of excited states calculated with Kohn-Sham density functional theory using the maximum overlap method has been assessed for the calculation of adiabatic excitation energies, excited state structures, and excited state harmonic and anharmonic vibrational frequencies for open-shell singlet excited states. The computed Kohn-Sham adiabatic excitation energies are improved significantl...

Quantum mechanical calculations on the vibrational predissociation dynamics of NeBr 2 in the B electronic state have been performed and the results compared with both experimental data and other computational studies. For vibrational levels with vр20 we find that the vibrational state dependence of the predissociation lifetimes is in qualitative agreement with experimental measurements, as are ...

We observe electron emission when vibrationally excited NO molecules with vibrational state v, in the range of 9 < or = v < or =18, are scattered from a Cs-dosed Au surface. The quantum efficiency increases strongly with v, increasing up to 10(-2) electrons per NO (v) collision, a value several orders of magnitude larger than that observed in experiments with similar molecules in the ground vib...

Fluorescence and phosphorescence are photon emission processes that occur during molecular relaxation from electronic excited states. These photonic processes involve transitions between electronic and vibrational states of polyatomic fluorescent molecules (fluorophores). The Jablonski diagram (Figure 1) offers a convenient representation of the excited state structure and the relevant transiti...

Using analytical excited-state gradients, vibrational normal modes have been calculated at the minimum of the electronic excited-state potential energy surfaces for a set of extended conjugated molecules with different coupling between them. Molecular model systems composed of units of polyphenylene ethynylene (PPE), polyphenylenevinylene (PPV), and naphthacene/pentacene (NP) have been consider...

Resonant vibrational excitation cross sections and the corresponding rate coefficients for electron–N2 collisions occurring through the N − 2 (X 2 g) resonant state are reviewed. New calculations are performed using accurate potential energy curves for the N2 electronic ground state, taken from the literature, and for the N2 resonant state, obtained from R-matrix calculations. The calculations ...

The microwave spectrum of HCCF and DCCF has been investigated in all vibrational states with energy up to 1500 cm -1. In the ground state and low-lying vibrational states mm-wave measurements up to 210 GHz Avere made. In some cases a detailed analysis of the vibrational state rotation spectrum including the effects of Z-type resonance, and the determination of the anharmonicity constant gtt was...

A new approach for reconstructing the vibrational quantum state of a trapped ion is proposed. The method rests upon the current ability of manipulating the trapped ion state and on the possibility of effectively measuring the scalar product of the two vibrational cofactors of a vibronic entangled state. The experimental feasibility of the method is briefly discussed.

We trap neutral Cs atoms in a two-dimensional optical lattice and cool them close to the zero point of motion by resolved-sideband Raman cooling. Sideband cooling occurs via transitions between the vibrational manifolds associated with a pair of magnetic sublevels, and the required Raman coupling is provided by the lattice potential itself. We obtain mean vibrational excitations n̄x ø n̄y , 0.024...