The size-dependent influence of palladium doping on the structures of cationic gold clusters

Abstract

The physicochemical properties of small metal clusters strongly depend on their precise geometry. Determining such geometries, however, is challenging, particularly for clusters formed by multiple elements. In this work, we...

Spectroscopic evidence of a Xe–Xe bond in the linear Xe2Au+Xe ion

“…23 Upon resonant vibrational excitation of AuXe 3 + , the ion fragments under elimination of a Xe atom, allowing the construction of a depletion spectrum that is subsequently converted into an IRMPD yield spectrum. 24,25 In the spectral range covered, AuXe 3 + has two intense absorption bands, around 134 and 163 cm À1 . The edge of a possible lower intensity third feature is visible close to 100 cm À1 .…”

Radiative cooling in silver and palladium doped gold clusters

“…Many studies over the years have been dedicated to elucidating the effect of doping on gold clusters. A nonexhaustive list of relevant studies dealt with the doping effect on the clusters' geometries, 40,41 reactivities, [42][43][44] optical absorptions 45,46 and relative stabilities. 47,48 To date, however, there is no information about the effect of doping on the radiation rates of excited Au n + clusters.…”

“…This is the aim of this work, where the effect of single silver or palladium atom doping on the radiative cooling of Au n + clusters was investigated in the n ¼ 11-15 size range, using mass spectrometry, photofragmentation, and density functional theory calculations. Previous studies have already determined the geometry, relative stability, and fragmentation channels of these clusters, 40,47,49 making them an ideal study case for radiation. Moreover, the substitution of a Au atom by either Ag or Pd is expected to have a different effect on the electronic structure of the clusters, given the different electronic conguration of Ag, [Kr]4d 10 5s 1 , with a lled 4d shell and one 5s valence electron, and Pd, [Kr]4d 10 , also with a lled 4d shell but no 5s electron.…”