Comparison of the intermolecular properties of N2…HArF with N2…HF
作者： Sean A. C. McDowell
DOI: 10.1063/1.1540628
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摘要: An ab initio computational study of the properties a weakly bound complex formed between recently discovered argon-containing compound HArF and N2 was undertaken at MP2/6-311G** level theory. The N2…HArF found to have zero-point vibrational energy corrected binding 396 cm−1 with respect monomer subunits. This exhibits large harmonic frequency blue shift 195 for Ar–H stretching vibration mode diminished infrared intensity this on formation complex. surprising result prompted understand source results were compared corresponding computations N2…HF complex, which has same proton acceptor but shows usual red H–F mode.
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