Abstract
Anharmonic vibrational frequencies are calculated for the Hn+ clusters (n=5,7,9) employing the correlation-corrected vibrational self-consistent field method. The present results confirm previous experimental assignments and also allow us to assign the 6690 cm−1 band of the H5+ cluster. The results explain the lack of features in the photodissociation spectra of the H7+ and H9+ clusters, in the region of 3000–3600 cm−1. The calculation also provides enough reliable data for the identification of these clusters in hydrogen atmospheres. The nature of the excitations near 4000 cm−1 in the vibrational spectra of the H7+ and H9+ clusters and their implication in the mechanism of photodissociation of these cluster are also discussed.
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