Abstract
The detection of ArH+ in the Crab nebula has led to speculation of other noble gas-containing molecules existing beyond the laboratory. Here, the previously unreported ArNH2+ molecule is shown through high-level coupled cluster theory quartic force field computations to possess a notable Ar–N bond strength (36.8 kcal/mol), a sizable dipole moment (2.78 D), near-prolate rotational character, and fairly bright vibrational transitions at 3256.0 cm−1 and 475.7 cm−1 on opposite ends of the infrared scale. Three of the other vibrational frequencies have observable intensities, and all of these data are provided for the three main isotopes of argon: 36ArNH2+, 38ArNH2+, and 40ArNH2+. These spectroscopic data should be useful in assisting any potential observations of the molecule whether in astrophysical or laboratory environments even if in the latter ArNH2+ could be a contaminant in argon matrix spectroscopic studies.
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