Study on the (HI) _m (H₂O) _n Clusters by Photofragment Translational Spectroscopy and Ab-Initio Calculation

Abstract

The photodissociation of the clusters (HI) m (H 2 O) n in the supersonic molecular beam has been investigated at 281.73 nm and 280.99 nm by photofragment translational spectroscopy (PTS). The translational energy distributions of the photofragment I* ( 2 P 1/2 ) show that the photodissociated species is mainly HI(H 2 O) n (n ≥ 4) clusters. In addition, the structures and the relative stability of (HI) m , (H 2 O) n and (HI) m (H 2 O) n (m = 1 ∼ 4, n = 1 ∼ 6) clusters have been obtained by ab initio calculation (the Density Functional Theory). The conclusion of the theoretical analysis is agreeable with the experimental results. So these results indicate that PTS combining theoretical calculation can be used as a new, indirect way to judge the composition of the clusters which are easy to be dissociated and difficult to be detected by mass spectroscopy.