Molecular absorption and emission bands dominate the visible, infrared, and submillimeter spectra of most objects with associated gas. These observations reveal a surprisingly rich array of molecular species and attest to a complex chemistry taking place in the harsh environment of the interstellar medium of galaxies. Molecules are truly everywhere and an important component of interstellar gas. This review surveys molecular observations in the various spectral windows and summarizes the chemical and physical processes involved in the formation and evolution of interstellar molecules. The rich organic inventory of space reflects the multitude of chemical processes involved that, on the one hand, build up molecules an atom at a time and, on the other hand, break down large molecules injected by stars to smaller fragments. Both this bottom-up and the trickle-down chemistry are reviewed. The emphasis is on understanding the characteristics of complex polycyclic aromatic hydrocarbon molecules and fullerenes and their role in chemistry as well as the intricate interaction of gas-phase ion-molecule and neutral-neutral reactions and the chemistry taking place on grain surfaces in dense clouds in setting the organic inventory of regions of star and planet formation and their implications for the chemical history of the Solar System. Many aspects of molecular astrophysics are illustrated with recent observations of the HIFI instrument on the Herschel Space Observatory.

https://cab.inta-csic.es/molecular_universe_2011/pressroomNew/tielensInterview.pdf

The molecular universe

Here we introduce the interstellar dust modelling framework THEMIS (The Heterogeneous dust Evolution Model for Interstellar Solids), which takes a global view of dust and its evolution in response to the local conditions in interstellar media. This approach is built upon a core model that was developed to explain the dust extinction and emission in the diffuse interstellar medium. The model was then further developed to self-consistently include the effects of dust evolution in the transition to denser regions. The THEMIS approach is under continuous development and currently we are extending the framework to explore the implications of dust evolution in HII regions and the photon-dominated regions associated with star formation. We provide links to the THEMIS, DustEM and DustPedia websites where more information about the model, its input data and applications can be found.

The global dust modelling framework THEMIS (The Heterogeneous dust Evolution Model for Interstellar Solids)

Here we introduce the interstellar dust modelling framework THEMIS (The Heterogeneous dust Evolution Model for Interstellar Solids), which takes a global view of dust and its evolution in response to the local conditions in interstellar media. This approach is built upon a core model that was developed to explain the dust extinction and emission in the diffuse interstellar medium. The model was then further developed to self-consistently include the effects of dust evolution in the transition to denser regions. The THEMIS approach is under continuous development and we are currently extending the framework to explore the implications of dust evolution in HII regions and the photon-dominated regions associated with star formation. We provide links to the THEMIS, DustEM and DustPedia websites where more information about the model, its input data and applications can be found.

/pdf/the-global-dust-modelling-framework-themis-31fooyqk6t.pdf

The global dust modelling framework THEMIS

https://hal.archives-ouvertes.fr/hal-01800298/document

H2 formation on interstellar dust grains: The viewpoints of theory, experiments, models and observations

The gas-phase chemistry of water in protoplanetary disks is analyzed with a model based on X-ray heating and ionization of the disk atmosphere. Several uncertain processes appear to play critical roles in generating the column densities of warm water that are detected from disks at infrared wavelengths. The dominant factors are the reactions that form molecular hydrogen, including formation on warm grains, and the ionization and heating of the atmosphere. All of these can work together to produce a region of high water abundances in the molecular transition layer of the inner disk atmosphere, where atoms are transformed into molecules, the temperature drops from thousands to hundreds of Kelvins, and the ionization begins to be dominated by the heavy elements. Grain formation of molecular hydrogen and mechanical heating of the atmosphere can play important roles in this region and directly affect the amount of warm water in protoplanetary disk atmospheres. Thus, it may be possible to account for the existing measurements of water emission from T Tauri disks without invoking transport of water from cooler to warmer regions. The hydroxyl radical OH is underabundant in this model of disk atmospheres and requires consideration of additional production and excitation processes.

/pdf/formation-of-water-in-the-warm-atmospheres-of-protoplanetary-2c29p9hjgu.pdf

Formation of water in the warm atmospheres of protoplanetary disks

We present first-principle calculations which reveal the existence of low-barrier routes to molecular hydrogen formation on the polycyclic aromatic hydrocarbon (PAH) molecule coronene via Eley-Rideal abstraction reactions and show that such processes could indeed be active under interstellar conditions. The calculations indicate that in regions of low UV flux, coronene, and larger PAHs might be found in superhydrogenated states. Furthermore, the calculations imply that not only edge carbon atoms but also carbon atoms on the inner rings of the coronene molecule can be hydrogenated. Such superhydrogenated PAHs are expected to exhibit significantly changed absorption and emission spectra.

https://phys.au.dk/fileadmin/site_files/forskning/surfacedynamics/pdf/Rauls2008.pdf

Catalyzed Routes to Molecular Hydrogen Formation and Hydrogen Addition Reactions on Neutral Polycyclic Aromatic Hydrocarbons under Interstellar Conditions

E. Rauls

Papers

Catalyzed Routes to Molecular Hydrogen Formation and Hydrogen Addition Reactions on Neutral Polycyclic Aromatic Hydrocarbons under Interstellar Conditions