Dependence of the structure of alkali metal–trifluoride ion pairs F3–M+ on the counterion M+ (M = Li, Na, K)

The CCSD(T)/6-311+G(3df) calculations have shown that the geometry, bond nature and stability of alkali metal–trifluoride tight ion pairs F₃^–M⁺ (M = Li, Na, K) are strongly dependent on the counterion M⁺ and its position in these pairs.