| Summary: | The structures and spectral features of protonated noble gas clusters are examined using a first principles approach. Protonated noble gas monomers (NgH<sup>+</sup>) and dimers (NgH<sup>+</sup>Ng) have a linear structure, while the protonated noble gas trimers (Ng<sub>3</sub>H<sup>+</sup>) can have a T-shaped or linear structure. Successive binding energies for these complexes are calculated at the CCSD(T)/CBS level of theory. Anharmonic simulations for the dimers and trimers unveil interesting spectral features. The symmetric NgH<sup>+</sup>Ng are charactized by a set of progression bands, which involves one quantum of the asymmetric Ng-H<sup>+</sup> stretch with multiple quanta of the symmetric Ng-H<sup>+</sup> stretch. Such a spectral signature is very robust and is predicted to be observed in both T-shaped and linear isomers of Ng<sub>3</sub>H<sup>+</sup>. Meanwhile, for selected asymmetric NgH<sup>+</sup>Ng’, a Fermi resonance interaction involving the first overtone of the proton bend with the proton stretch is predicted to occur in ArH<sup>+</sup>Kr and XeH<sup>+</sup>Kr.
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