Ab initio analysis on potential superbases of several hyperlithiated species: Li 3 F 2 O and Li 3 F 2 OH n (n = 1, 2)

A systematic investigation on the potential basicity of the novel hyperlithiated species Li F O and Li F (OH) (n = 1, 2) based upon the superalkali cluster Li F was conducted using high-level ab initio techniques. Equilibrium structures for both the neutral and anionic states in the gas-phase were i...

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Veröffentlicht in:Dalton transactions : an international journal of inorganic chemistry 2018, Vol.47 (1), p.159-168
Hauptverfasser: Winfough, Matthew, Meloni, Giovanni
Format: Artikel
Sprache:eng
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