2007ApJ...671.2159G

The ground state of aluminum hydrosulfide, AlSH^X (where X=-1,0,+1), has been examined using high-level ab initio electronic structure calculations at the CCSD(T) level with an augmented correlation-consistent basis set. The geometries have been optimized up through the aug-cc-pV5Z level and vibrational frequencies calculated using the aug-cc-pV5Z basis set. The energetic properties of AlSH are also examined. The adiabatic ionization potential and electron affinity of AlSH are calculated to be 198.5 and 7.7 kcal/mol, respectively. Dissociation of AlSH into AlS+H will require 78.2 kcal/mol of energy, and the Al-S bond energy is 91.1 kcal/mol. Structural and energetic properties of the cation and anion of AlSH are reported for the first time.