Article ID Journal Published Year Pages File Type
5379491 Chemical Physics Letters 2015 8 Pages PDF
Abstract

- The fluoroxyl group my play the ligand role in the superhalogen anions.
- All the examined M(OF)k+1− (where M = Li, Na, K, Be, Mg, Ca, B, Al and k is maximal formal valence of M) systems are strongly bound anions as their VDEs span 5.0-7.6 eV range.
- The largest VDE was predicted for the S4-symmetry quasi-tetrahedral Al(OF)4− anion.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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