Matthias Schmies

TL;DR: This work developed an experimental strategy for the investigation of dynamical intermolecular processes, which typically occur on the picosecond (ps) time scale and involves the generation of molecular clusters isolated in supersonic beams and the characterization of their dynamics using ps time-resolved IR spectroscopy.

TL;DR: The IR spectra of the PhOH(+)-Ar(n) cations generated by resonant photoionization of the neutral precursor display the signature of H-bonded isomers, suggesting that ionization triggers an isomerization reaction, in which one of the π- bonded Ar ligands moves to the more attractive OH site.

TL;DR: The Ar complexation shifts calculated for the S (1) origin and the adiabatic ionisation potential, ΔS(1) and ΔIP, sensitively depend on the Ar positions and thus the sequence of filling the first Ar solvation shell, enabling thus a firm assignment of various S( 1) origins to their respective isomers.

TL;DR: Infrared photodissociation spectra of size-selected clusters of the formanilide cation, FA(+)-(H2O)n (n = 1-5), are analyzed by density functional theory calculations at the ωB97X-D/aug-cc-pVTZ level to determine the sequential microhydration of this prototypical aromatic amid cation.

TL;DR: The potential of the ABN(+)-H2O dimer is characterized in detail and supports the cluster growth derived from the IRPD spectra, and the formation of a solvent network stabilized by strong cooperative effects is favored over interior ion hydration which is destabilized by noncooperative effects.