Polycyclic aromatic hydrocarbon growth in a benzene discharge explored by IR-UV action spectroscopy

Infrared signatures of polycyclic aromatic hydrocarbons (PAHs) are detected towards many phases of stellar evolution. PAHs are major players in the carbon chemistry of the interstellar medium, forming the connection between small hydrocarbons and large fullerenes. However, as details on the formation of PAHs in these environments are still unclear, modeling their abundance and chemistry has remained far from trivial. By combining molecular beam mass-selective IR spectroscopy and calculated IR spectra, we analyze the discharge of benzene and identify resulting products including larger PAHs, radicals and intermediates that serve as promising candidates for radio astronomical searches. The identification of various reaction products indicates that different gas-phase reaction mechanisms leading to PAH growth must occur under the same conditions to account for all observed PAH-related species, thereby revealing the complex and interconnected network of PAH formation pathways. The results of this study highlight key (exothermic) reactions that need to be included in astrochemical models describing the carbon chemistry in our universe

Fingerprinting fragments of fragile interstellar molecules: dissociation chemistry of pyridine and benzonitrile revealed by infrared spectroscopy and theory

Fragmentation pathways of benzonitrile and pyridine are elucidated using cryogenic infrared ion spectroscopy, quantum-chemical calculations and molecular dynamics simulations

New potential candidates for astronomical searches discovered in the electrical discharge of the PAH naphthalene and acetonitrile

The formation and dissociation mechanisms of polycyclic aromatic hydrocarbons (PAHs) as well as their reactivity with other interstellar molecules are elusive. In this work, we have investigated the electrical discharge chemistry of the PAH naphthalene and acetonitrile, a molecule known to be present in interstellar environments, using a combination of mass-selective IR-UV ion dip spectroscopy with the free electron laser FELIX in the mid-IR frequency region (550 – 1800 cm−1) and quantum chemical calculations. In addition to the species known to be produced in the electrical discharge of pure naphthalene, –CH3 and –CN substituted unsaturated hydrocarbons have been identified. Most of them, in particular those containing a nitrogen atom in the molecular framework, such as 7H-benzo[7]annulenecarbonitrile, have a substantial dipole moment and, therefore, can be considered as potential candidates for radio astronomical searches. Among the species observed, the two isomers 1- and 2-cyanonaphthalene, which have been recently detected in the TMC-1, have been identified in our experiment, thus continuing to highlight the use of electrical discharge sources as a valuable tool to produce astronomically relevant species