Infrared spectroscopy and anharmonic theory of H3+Ar2,3 complexes: The role of symmetry in solvation

Le résumé fourni par la source

The vibrational spectra of H3+Ar2,3 and D3+Ar2,3 are investigated in the 2000 cm−1 to 4500 cm−1 region through a combination of mass-selected infrared laser photodissociation spectroscopy and computational work including the effects of anharmonicity. In the reduced symmetry of the di-argon complex, vibrational activity is detected in the regions of both the symmetric and antisymmetric hydrogen stretching modes of H3+. The tri-argon complex restores the D3h symmetry of the H3+ ion, with a concomitant reduction in the vibrational activity that is limited to the region of the antisymmetric stretch. Throughout these spectra, additional bands are detected beyond those predicted with harmonic vibrational theory. Anharmonic theory is able to reproduce some of the additional bands, with varying degrees of success.

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