AUTHOR=Watrous Alexandria G. , Davis Megan C. , Fortenberry Ryan C. 

TITLE=Pathways to Detection of Strongly-Bound Inorganic Species: The Vibrational and Rotational Spectral Data of AlH2OH, HMgOH, AlH2NH2, and HMgNH2

JOURNAL=Frontiers in Astronomy and Space Sciences

VOLUME=8

YEAR=2021

URL=https://www.frontiersin.org/journals/astronomy-and-space-sciences/articles/10.3389/fspas.2021.643348

DOI=10.3389/fspas.2021.643348

ISSN=2296-987X

ABSTRACT=<p>Small, inorganic hydrides are likely hiding in plain sight, waiting to be detected toward various astronomical objects. AlH<sub>2</sub>OH can form in the gas phase via a downhill pathway, and the present, high-level quantum chemical study shows that this molecule exhibits bright infrared features for anharmonic fundamentals in regions above and below that associated with polycyclic aromatic hydrocarbons. AlH<sub>2</sub>OH along with HMgOH, HMgNH<sub>2</sub>, and AlH<sub>2</sub>NH<sub>2</sub> are also polar with AlH<sub>2</sub>OH having a 1.22 D dipole moment. AlH<sub>2</sub>OH and likely HMgOH have nearly unhindered motion of the hydroxyl group but are still strongly bonded. This could assist in gas phase synthesis, where aluminum oxide and magnesium oxide minerals likely begin their formation stages with AlH<sub>2</sub>OH and HMgOH. This work provides the spectral data necessary to classify these molecules such that observations as to the buildup of nanoclusters from small molecules can possibly be confirmed.</p>