Jump to Main Content
- Pang, Si-ping, et al. Show all 8 Authors
- RSC advances 2015 v.5 no.127 pp. 104841-104845
- antimony; density functional theory; dissociation; electron transfer; enthalpy; fluorine; ions; isomers; ligands; salts; thermal stability
- ... The thermal stabilities of the N₅⁺M⁻ species (M = Sb(OH)₆, Sb(OH)₄F₂, AlF₆, AlF₄, BF₄, B(CF₃)₄, PF₆, AsF₆ and SbF₆) have been studied by means of density functional theory. The present calculations indicate that their thermal stabilities (represented by activation enthalpy, ΔH≠ in kcal mol⁻¹) decrease in the order N₅⁺ (47.2) > N₅B(CF₃)₄ (34.1) ≈ N₅SbF₆ (31.6) ≈ N₅AsF₆ (31.5) > N₅PF₆ (30.5) > N₅AlF ...