Infrared spectrum of the silicon hydride cation SiH7+

The infrared spectrum of the benzene–Ar cation

Rotationally resolved infrared spectrum of the Li+-D2 cation complex.

The infrared spectrum of mass selected Li(+)-D(2) cations is recorded in the D-D stretch region (2860-2950 cm(-1)) in a tandem mass spectrometer by monitoring Li(+) photofragments. The D-D stretch vibration of Li(+)-D(2) is shifted by -79 cm(-1) from that of the free D(2) molecule indicating that the vibrational excitation of the D(2) subunit strengthens the effective Li(+)cdots, three dots, ce...

Vibrational spectrum of magnesium hydride

The vibrational spectrum of hydrogen atoms in magnesium hydride has been studied by means of inelasticneutron and Raman-scattering experiments between 12 and 295 K. After careful evaluation of multiple scattering and multiphonon contributions, we provide a vibrational frequency spectrum up to 180 meV and the mean-square displacement of hydrogen atoms. The inelastic light scattering spectra of M...

Deciphering the infrared spectrum of the protonated water pentamer and the hybrid Eigen-Zundel cation.

Traditionally, infrared band assignment for the protonated water clusters, such as H(+)(H2O)5, is based on their lowest energy isomer. Recent experiments extend the observation spectral window to lower frequencies, for which such assignment appears to be inadequate. Because this hydrogen-bonded system is highly anharmonic, harmonic spectral calculations are insufficient for reliable interpretat...

Gas-phase infrared spectrum and acidity of the radical cation of 9-methylguanine.

Oxidative damage to DNA yields guanine radical cations. Their gas-phase IR spectroscopic signature and acidity have been modelled by the radical cation of 9-methylguanine. Comparisons with quantum chemistry calculations suggest that radical cation formation produces the ground-state keto tautomer, which has an N-H acidity enhanced by ~470 kJ mol(-1).