Journal
CHEMICAL PHYSICS LETTERS
Volume 741, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2020.137094
Keywords
Potassium-iodide clusters; Superhalogen; Superalkali; Supersalt
Funding
- U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
- DOE's Office of Biological and Environmental Research
- Research Foundation-Flanders (FWO)
- Flemish Government-department EWI
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The (KI)(n)I- and (KI)(n)K+ (n = 1-3) clusters were studied by quantum chemical calculations. The calculated vertical detachment energies (VDEs) of (KI)(n)I- are higher than those of halogen anions, thus can be classified as superhalogen anions; while the calculated vertical electron affinities (VEAs) of (KI)(n)K+ are lower than those of alkali metal cations, thus can be recognized as superalkali cations. The calculated VEA for (KI)(n)K+, i.e., K2I+, agrees well with previous measurement, and the calculated VDEs for (KI)(n)I- were confirmed by negative ion photoelectron (NIPE) spectroscopy. Furthermore, supersalts could be formed by those superhalogens and superalkalis, and K3I3 is an example formed by K2I+ and KI2- subunits.
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