Interaction of phenol with xenon and nitrogen: spectroscopic and computational characterization.
作者： Qian Cao , Natalya Andrijchenko , Anna-Elina Ahola , Alexandra Domanskaya , Markku Räsänen
DOI: 10.1063/1.4754435
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摘要: Intermolecular complexes of phenol with xenon and nitrogen are studied by infrared absorption spectroscopy in a neon matrix quantum chemistry calculations. The π complex is theoretically the most stable 1:1 phenol⋅⋅⋅Xe structure, but it has no characteristic shifts calculated vibrational spectrum, which complicates its experimental characterization. However, formation finds indirect significant support from results. spectrum less H-bonded shows number absorptions, they not observed experiment, indicating lack formation. For phenol⋅⋅⋅Xen (n = 2–4) complexes, calculations predict substantial changes spectra, corresponding bands matrices large concentrations xenon. Our experiments show high efficiency clusters that can accommodate major part mole...
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