ChemInform Abstract: Sulfur Compounds. Part 217. An ab initio MO Study of the Gas-Phase Reactions 2SF2→FS-SF3→S=SF4 — Molecular Structures, Reaction of Enthalpies and Activation Energies

An ab initio MO Study of the Gas-Phase R

An ab initio MO Study of the Gas-Phase Reactions 2 SF2 → FS−SF3 → S=SF4 − Molecular Structures, Reaction Enthalpies and Activation Energies

✍ Yana Steudel; Ralf Steudel; Ming Wah Wong; Dieter Lentz 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 123 KB 👁 2 views

High level ab initio MO calculations at the G3(MP2) level of theory were employed to study the molecular structures of SF 2 , FSSF 3 , and SSF 4 , as well as the dimerization of gaseous SF 2 to FSSF 3 and the isomerization of FSSF 3 to SSF 4 . The dimerization of SF 2 was calculated to be an exother