Gas-phase stability of cluster ions SF m + (SF6) n with m = 0–5 and n = 1–3 |
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Authors: | Kenzo Hiraoka Akitaka Shimizu Akihito Minamitsu Masayuki Nasu Susumu Fujimaki Shinichi Yamabe |
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Affiliation: | 1. Faculty of Engineering, Yamanashi University, Takeda-4, 400, Kofu, Japan 2. Department of Chemistry, Nara University of Education, 630, Takabatake-cho, Nara, Japan
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Abstract: | The gas-phase stabilities of cluster ions SF+m (SF6)n with m = 0−5 were determined by using a high pressure mass spectrometer. The bond energies of SF+m (SF6)1 were found to be less than 10 kcal/mol and to decrease with m = 0 → 5. There appear to be rather large gaps in the bond energies between n = 1 and 2 for the clusters SF+m (SF6)n with m = 0−4. The structures of SF+5, SF+ (SF6)1, SF+3 (SF6)1, and SF+5 (SF6)1 were investigated by ab initio molecular orbital calculations. For SF+5, the D3h geometry is found to be most stable andC4v is a transition state of the Berry pseudorotation. For the ion-molecule complexes, the “on-top hat” models were found to be the most stable structures. |
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