Gas phase vibrational spectroscopy of cold (TiO2)n− (n = 3–8) clusters

Gas phase vibrational spectroscopy of cold (TiO2)n(-) (n = 3-8) clusters.

We report infrared photodissociation (IRPD) spectra for the D2-tagged titanium oxide cluster anions (TiO2)n(-) with n = 3-8 in the spectral region from 450 to 1200 cm(-1). The IRPD spectra are interpreted with the aid of harmonic spectra from BP86/6-311+G* density functional theory calculations of energetically low-lying isomers. We conclusively assign the IRPD spectra of the n = 3 and n = 6 cl...

Vibrational Spectroscopy of Gas-Phase Metal-Carbide Clusters and Nanocrystals

Structures and vibrational spectroscopy of partially reduced gas-phase cerium oxide clusters.

This work demonstrates that the most stable structures of even small gas-phase aggregates of cerium oxide with 2-5 cerium atoms show structural motifs reminiscent of the bulk ceria. This is different from main group and transition metal oxide clusters, which often display structural features that are distinctly different from the bulk structure. The structures of Ce(2)O(2)(+), Ce(3)O(4)(+), and...

Microhydrated dihydrogen phosphate clusters probed by gas phase vibrational spectroscopy and first principles calculations.

We report infrared multiple photon dissociation (IRMPD) spectra of cryogenically-cooled H2PO4(-)(H2O)n anions (n = 2-12) in the spectral range of the stretching and bending modes of the solute anion (600-1800 cm(-1)). The spectra cannot be fully understood using the standard technique of comparison to harmonic spectra of minimum-energy structures; a satisfactory assignment requires considering ...

Gas phase vibrational spectroscopy of mass-selected vanadium oxide anions.

The vibrational spectra of vanadium oxide anions ranging from V(2)O(6)(-) to V(8)O(20)(-) are studied in the region from 555 to 1670 cm(-1) by infrared multiple photon photodissociation (IRMPD) spectroscopy. The cluster structures are assigned and structural trends identified by comparison of the experimental IRMPD spectra with simulated linear IR absorption spectra derived from density functio...