Silicon oxides are major contributors to the material that makes up planets, dust, and other rocky bodies.  However, the pathway between the stellar nursery where the constituent atoms are made and the final material remains unclear.  Likely the Si and O atoms must first form small molecules which can then be incorporated into nanocrystals and then rocky materials.  The structure and spectral data for this class of small, inorganic molecules has largely been unexplored in the chemical literature.  This CCSD(T)-F12/cc-pVTZ-F12 quantum chemical study analyses the spectral features of small molecules comprised of these Earth-abundant elements as well as various hydrides of them.  These species often have notable infrared intensities, large dipole moments, and frequencies in regions typically not associated with other classes of molecules like polycyclic aromatic hydrocarbons. Hence, these or related molecules may help to explain portions of unattributed IR spectra as well as provide evidence for the early stages of nanocrystal formation in protoplanetary disks leading to planet formation.  Conversely, the presence of these molecules in planetary nebulae, supernova remnants, or other stellar corpses may indicate the previous existence of rocky planets in such former planetary systems.

Infrared signatures for small silicon oxide clusters

ACS Fall 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.