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Gas-phase stability of cluster ions SFm+(SF6)nwithm= 0–5 andn= 1–3

✍ Scribed by Kenzo Hiraoka; Akitaka Shimizu; Akihito Minamitsu; Masayuki Nasu; Susumu Fujimaki; Shinichi Yamabe

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
526 KB
Volume
6
Category
Article
ISSN
1044-0305

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✦ Synopsis

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 D 3h geometry is found to be most stable and C 4v 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.

📜 SIMILAR VOLUMES

The small binding energies of the negati
The small binding energies of the negative cluster ions: SF5−(SF6)1, SF6−(SF6)1 and F−(SF6)n (n = 1 and 2), in the gas phase
✍ Kenzo Hiraoka; Akitaka Shimizu; Akihito Minamitsu; Masayuki Nasu; Susumu Fujimak 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 288 KB

The gas-phase clustering reactions of SF~, SF 6 and F-ions with SF 6 were measured using a high-pressure mass spectrometer. The bond energies of SFs--(SF6) 1 and SF6(SF6) 1 were estimated to be ~< 2.3 kcal/mol. The bond energies of F-(SF6) , with n = 1 and 2 were determined to be 5.4 and = 4.1 kcal/