Cooperative Effects in the Inverse Coordination Complexes of Aromatic Azines and Tin(IV) Halides

fragments than the corresponding 1:1 conventional complexes. Thus, the studied inverse coordination complexes are characterized by negative cooperative effects (or anticooperativity) between their N→Sn bonds. This conclusion is supported by an occurrence of the destabilizing three-body nonadditive contribution to the total interaction energy calculated at the CCSD(T)/CBS level of theory. The origin of the anticooperativity has been unveiled by the analysis of electron charge distribution and the fundamental physical nature of individual many-body contributions to the total interaction energy. Overall, this work shows how cooperative effects, together with the proper choice of azine center, can modulate the strength of N→Sn bonds in tin(IV) inverse coordination complexes.