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Free, publicly-accessible full text available April 29, 2026
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Watrous, Alexandria G.; Westbrook, Brent R.; Fortenberry, Ryan C. (, The Journal of Physical Chemistry A)
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Watrous, Alexandria G.; Davis, Megan C.; Fortenberry, Ryan C. (, Frontiers in Astronomy and Space Sciences)Small, inorganic hydrides are likely hiding in plain sight, waiting to be detected toward various astronomical objects. AlH 2 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 2 OH along with HMgOH, HMgNH 2 , and AlH 2 NH 2 are also polar with AlH 2 OH having a 1.22 D dipole moment. AlH 2 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 2 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.more » « less
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