The potential energy of alkali metal halide dimers

9 The potential energy of alkali metal halide dimers 

Li+ ZBrLiBr= 110°. When the smallest anion, F , is combined with the largest cation, K+, the ZXMX angle is calculated to be smaller than the ZMXM angle [3]. 

We define the dissociation energy of a dimer as the standard energy of the reaction 

If we neglect Born repulsion between the two anions and between the two cations, i.e. if we assume that only the nearest neighbors touch one another, the Born repulsion energy is 

The total energy of the dimer relative to the energy of four separated atoms is 

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THE POTENTIAL ENERGY OF ALKALI METAL HALIDE DIMERS... 

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