Reactions of SiO molecules have been postulated to initiate efficient formation of silicate dust particles in outflows around dying (AGB) stars. Both OH radicals and H2O molecules can be present in these environments and their reactions with SiO and the smallest SiO cluster, Si2O2, affect the efficiency of eventual dust formation. Rate coefficients of gas-phase oxidation and clustering reactions of SiO, Si2O2 and Si2O3 have been calculated using master equation calculations based on density functional theory calculations. The calculations show that the reactions involving OH are fast. Reactions involving H2O are not efficient routes to oxidation but may under the right conditions lead to hydroxylated species. The reaction of Si2O2 with H2O, which has been suggested as efficient producing Si2O3, is therefore not as efficient as previously thought. If H2O molecules dissociate to form OH radicals, oxidation of SiO and dust formation could be accelerated. Kinetics simulations of oxygen-rich circumstellar environments using our proposed reaction scheme suggest that under typical conditions only small amounts of SiO2 and Si2O2 are formed and that most of the silicon remains as molecular SiO.
A large fraction of interstellar carbon is locked up in solid grains. The nature, origin and evolution of these grains have been investigated for decades. A combination of observations, models and experiments indicates that carbonaceous dust is mostly made of a mixture of grains composed almost exclusively of carbon and hydrogen. They have different proportions of aliphatic and aromatic structures, and a variable H/C ratio. Their sizes can vary typically between the nm and the hundreds of nm. Carbonaceous grains are largely formed in the envelopes of carbon rich asymptotic giant branch (AGB) stars and evolve in the interstellar medium, where they can be transformed or destroyed by the effects of hydrogen atoms, UV radiation, cosmic rays or shock waves from supernovae. Surviving grains eventually enter dense clouds and participate in the cloud collapse leading to star formation, closing thus their lifecycle. Within this general picture, there are doubts and issues that cannot be solved just by observation and modeling and require laboratory work. In this article we provide an overview of the development and present state of the field indicating open problems and debated questions. We stress recent experimental progress in the understanding of dust formation, both in circumstellar envelopes and the cold interstellar medium, and also in the energetic processing of dust analogs, that points to a possible top down chemistry in the diffuse medium, and especially in photon irradiated regions.
Rovibrational spectral data for several tetra-atomic silicon carbide clusters (TASCCs) are computed in this work using a CCSD(T)-F12b/cc-pCVTZ-F12 quartic force field. Accurate theoretical spectroscopic data may facilitate the observation of TASCCs in the interstellar medium which may lead to a more complete understanding of how the smallest silicon carbide (SiC) solids are formed. Such processes are essential for understanding SiC dust grain formation. Due to SiC dust prevalence in the interstellar medium, this may also shed light on subsequent planetary formation. Rhomboidal Si2C2 is shown here to have a notably intense (247 km mol−1) anharmonic vibrational frequency at 988.1 cm−1 (10.1 μm) for ν2, falling into one of the spectral emission features typically associated with unknown infrared bands of various astronomical regions. Notable intensities are also present for several of the computed anharmonic vibrational frequencies including the cyclic forms of C4, SiC3, Si3C, and Si4. These features in the 6–10 μm range are natural targets for infrared observation with the James Webb Space Telescope (JWST)’s MIRI instrument. Additionally, t-Si2C2, d-Si3C, and r-SiC3 each possess dipole moments of greater than 2.0 D making them interesting targets for radioastronomical searches especially since d-SiC3 is already known in astrophysical media.