Study of the Reactivity of CHCOOH and COOH Ions with CHNH: Evidence of the Formation of New Peptide-like C(O)-N Bonds.

Acetamide, a small organic compound containing a peptide bond, was observed in the interstellar medium, but reaction pathways leading to the formation of this prebiotic molecule remain uncertain. We investigated the possible formation of a peptide-like bond from the reaction between acetic acid (CH-COOH) and methylamine (CH-NH) that were identified in the interstellar medium. From an experimental point of view, a quadrupole/octopole/quadrupole mass spectrometer was used in combination with synchrotron radiation as a tunable source of VUV photons for monitoring the reactivity of selected ions.

Unimolecular decomposition of methyl ketene and its dimer in the gas phase: theory and experiment.

We present a combined theoretical and experimental investigation on the single photoionization and dissociative photoionization of gas-phase methyl ketene (MKE) and its neutral dimer (MKE2). The performed experiments entail the recording of photoelectron photoion coincidence (PEPICO) spectra and slow photoelectron spectra (SPES) in the energy regime 8.7-15.

What is the hydrophobic interaction contribution to the stabilization of micro-hydrated complexes of trimethylamine oxide (TMAO)? A joint DFT-D, QTAIM, and MESP study.

Micro-hydrated trimethylamine oxide (TMAO) has been investigated using a range-separated-hybrid functional including empirical dispersion correction. Electrophilic and nucleophilic sites on TMAO and water clusters have been identified using the molecular electrostatic potential (MESP). The nature of the chemical bonding in the different isomers of the micro-hydrated complexes has been investigated with the topological analysis of the electron density (QTAIM) method.

Photoionization and dissociative photoionization of propynal in the gas phase: theory and experiment.

Propynal (HCCCHO) is a complex organic compound (COM) of astrochemical and astrobiological interest. We present a combined theoretical and experimental investigation on the single photon ionization of gas-phase propynal, in the 10 to 15.75 eV energy range.