Related papers: Molecular hydrogen formation on interstellar PAHs …

Through density functional theory and molecular dynamics calculations, we have analysed various metal polyhydrides to understand whether hydrogen is present in its molecular or atomic form - tetrahydrides of Ba,Sr,Ra, Cs and La;…

We study whether polycyclic aromatic hydrocarbons (PAHs) can be a weighty source of small hydrocarbons in photo-dissociation regions (PDRs). We modeled the evolution of 20 specific PAH molecules in terms of dehydrogenation and destruction…

Molecular hydrogen is the most abundant molecular species in the Universe. While no doubts exist that it is mainly formed on the interstellar dust grain surfaces, many details of this process remain poorly known. In this work, we focus on…

Polycyclic aromatic hydrocarbons (PAHs) are some of the major dust components in the interstellar medium (ISM). We present our evolution models for the abundance of PAHs in the ISM on a galaxy-evolution timescale. We consider shattering of…

Hydrogen atom tunneling likely plays a substantial role in the gas-phase chemistry of astrochemical environments. To determine the potential effect that it has on the chemical modeling of aromatic molecules, we screened the kida.uva.2024…

Functionalized polcyclic aromatic hydrocarbons (PAHs) are an interesting class of molecules in which the electronic state of the graphene-like hydrocarbon part is tuned by the functional group. Searching for new types of donor and acceptor…

Clusters of polycyclic aromatic hydrocarbon (PAH) molecules are modelled using explicit all-atom potentials using a rigid body approximation. The PAH's considered range from pyrene (C10H8) to circumcoronene (C54H18), and clusters containing…

We present the analysis of the Polycyclic Aromatic Hydrocarbon (PAH) spectra of a sample of 92 typical star forming galaxies at 0.03 < z < 0.2 observed with the Spitzer IRS. We compare the relative strengths of PAH emission features with…

Context. Recent Monte Carlo simulations and laboratory studies of interstellar ices have proposed an alternative pathway involving the radical-molecule H-atom abstraction reaction in the overall mechanism of methanol (CH3OH) formation in…

Polycyclic Aromatic Hydrocarbons (PAHs) are carbon-based molecules resulting from the union of aromatic rings and related species, which are likely responsible for strong infrared emission features (3.3, 6.2, 7.7, 8.6, 11.3 and 12.7…

The mid-infrared spectra of large PAHs ranging from C54H18 to C130H28 are determined computationally using Density Functional Theory. Trends in the band positions and intensities as a function of PAH size, charge and geometry are discussed.…

The formation of positive ions of antihydrogen $\bar{\rm{H}}^+$ via the three body reaction (i) $\rm{e}^+ + \rm{e}^- + \bar{\rm{H}} \rightarrow \rm{e}^- + \bar{\rm{H}}^+$ is considered. In reaction (i), free positrons $\rm{e}^+$ are…

I summarize the results of two recent studies, based on ISO and Spitzer mid-IR spectra of galaxies and Galactic regions, aimed at understanding the origins of the variations of the aromatic features among and inside galaxies. I show that…

Polycyclic aromatic hydrocarbons (PAHs) play a key role in the chemical and hydrodynamical evolution of the atmospheres of exoplanets and planet-forming discs. If they can survive the planet formation process, PAHs are likely to be involved…

In this work, we study the photodissociation processes of small PAH clusters (e.g., pyrene clusters). The experiments are carried out using a quadrupole ion trap in combination with time-of-flight (QIT-TOF) mass spectrometry. The results…

The formation of hydrides by gas-phase reactions between H2 and a heavy element atom is a very selective process. Reactions with ground-state neutral carbon, oxygen, nitrogen, and sulfur atoms are very endoergic and have high energy…

The electronic spectra of gas-phase cationic polycyclic aromatic hydrocarbons (PAHs), trapped in the Fourier Transform Ion Cyclotron Resonance cell of the PIRENEA experiment, have been measured by multiphoton dissociation spectroscopy in…

The recent wave of detections of interstellar aromatic molecules has sparked interest in the chemical behavior of aromatic molecules under astrophysical conditions. In most cases, these detections have been made through chemically related…

The recent detection of the hydrocarbon anion C6H- in the interstellar medium has led us to investigate the synthesis of hydrocarbon anions in a variety of interstellar and circumstellar environments. We find that the anion/neutral…

Using atomistic simulations, we characterize the adsorption process of organic molecules on carbon nanoparticles, both of which have been reported to be abundant in the interstellar medium (ISM). It is found that the aromatic organics are…