Infrared action spectroscopy of the deprotonated formic acid trimer, trapped in helium nanodroplets

Abstract

Hydrogen bonding interactions are essential in the structural stabilization and physicochemical properties of complex molecular systems, and carboxylic acid functional groups are common participants in these motifs. Consequently, the neutral...

Noble Gas Anions: An Overview of Strategies and Bonding Motifs

“…[82] Helium atom(s) can also be attached to molecular anions, thus allowing to investigate the structure of these systems by action spectroscopy. [83,84] The recently investigated deprotonated formic acid trimer [85] and DNA dinucleotide anions [86] are just two illustrative examples of the exciting opportunities offered by this experimental approach. Another major quite recent achievement is the first detection of multiply charged helium droplet anions.…”

Location of the Shared Proton in Proton-Bound Dimer Compound of Hydrogen Sulfate and Formate: Path Integral Molecular Dynamics Study

“…Proton-bound dimer (PBD) compounds, where a proton is shared by two Bro̷nsted conjugate bases, are ionic hydrogen bond compounds. As such a structure is found in various complexes and takes important roles therein, PBD compounds have been the subject of numerous research. − For instance, Thomas and co-workers studied the structure of the PBD of hydrogen sulfate and formate through infrared (IR) action spectroscopy of ions captured in helium nanodroplets . One of the main concerns regarding the PBD compounds is the location of the shared protonwhether the shared proton is localized on either an anion or located around the center of two anions.…”

Mid-infrared Laser Spectroscopy of Jet-Cooled Formic Acid Trimer: Mode-Dependent Line Broadening in the C–O Stretching Region

“…To inform future theoretical studies on the formic acid trimer�or the deprotonated formic acid trimer which seems to exhibit strong anharmonic perturbations in this spectral region 46 �it is instructive to compare experimental vibration− rotation parameters of F(FF) with ab initio predictions. The performance of the rigid-rotor-harmonic-oscillator [RRHO] and second-order vibrational perturbation theory [VPT2] models for selected electronic structure levels and basis sets are visualized in Figure 4.…”