A spectroscopic case for SPSi detection: The third-row in a single molecule

摘要

In moving beyond the second row of the periodic table for molecules of astronomical and atmospheric significance, the exploration of sulfur and phosphorus chemistry is essential. Additionally, silicon is abundant in most astrophysical environments and is a major component of most rocky bodies. The triatomic molecule composed of each of these atoms is therefore a tantalizing candidate for spectroscopic characterization for astrophysical reasons as well as gaining further understanding into the chemical physics of molecules that are not carbon-based. The current work employs high-level quantum chemical techniques to provide new insights into this simplest of heterogeneous third-row atom systems. The fundamental vibrational frequencies are all within the 350-600 cm(-1) range and do not demonstrate strong anharmonicities. These frequencies, rotational constants, vibrationally excited state spectroscopic data, and related isotopic substitution information produced will aid in laboratory experimentation and, even potentially, telescopic observation since modern instruments possess the power to resolve extremely fine details. Published by AIP Publishing.