Infrared Spectroscopic Characterization of Early 4d Transition Metal Carbene Cations, ZrCH and NbCH.

IR multiple-photon dissociation (IRMPD) action spectroscopy is combined with quantum chemical calculations to examine the [M,C,2H] species for the early 4d metals, M = Zr and Nb. These ions were formed by reacting laser ablated M ions with cyclopropane (-CH) in a molecular beam apparatus. Both IRMPD spectra exhibit one major band near 700 cm and a second weaker band at about twice that wavenumber, more evident when irradiated in focus.

Spectroscopic investigation of size-dependent CO binding on cationic copper clusters: analysis of the CO asymmetric stretch.

Photofragmentation spectroscopy, combined with quantum chemical computations, was employed to investigate the position of the asymmetric CO stretch in cold, He-tagged Cu[CO] ( = 1-10) and Cu[CO][HO] ( = 1-7) complexes. A blue shift in the band position was observed compared to the free CO molecule for Cu[CO] complexes. Furthermore, this shift was found to exhibit a notable dependence on cluster size, progressively redshifting with increasing cluster size.

Mixed Cluster Ions of Magnesium and C.

Magnesium clusters exhibit a pronounced nonmetal-to-metal transition, and the neutral dimer is exceptionally weakly bound. In the present study, we formed pristine Mg ( = 1-100, = 1-3) clusters and mixed (C)Mg clusters ( = 1-7, = 1, 2) upon electron irradiation of neutral helium nanodroplets doped with magnesium or a combination of C and magnesium. The mass spectra obtained for pristine magnesium cluster ions exhibit anomalies, consistent with previous reports in the literature.

Pentagon, Hexagon, or Bridge? Identifying the Location of a Single Vanadium Cation on Buckminsterfullerene Surface.

Buckminsterfullerene C has received extensive research interest since its discovery. In addition to its interesting intrinsic properties of exceptional stability and electron-accepting ability, the broad chemical tunability by decoration or substitution on the C-fullerene surface makes it a fascinating molecule. However, to date, there is uncertainty about the binding location of such decorations on the C surface, even for a single adsorbed metal atom.

Solvation of cationic copper clusters in molecular hydrogen.

Multiply charged superfluid helium nanodroplets are utilized to facilitate the growth of cationic copper clusters (Cu, where = 1-8) that are subsequently solvated with up to 50 H molecules. Production of both pristine and protonated cationic Cu clusters are detected mass spectrometrically. A joint effort between experiment and theory allows us to understand the nature of the interactions determining the bonding between pristine and protonated Cu and Cu cations and molecular hydrogen.