Matrix isolation and ab initio study of the reactions of magnesium atoms and clusters with CO2, C2H4, and CO2/C2H4 mixtures: Formation of cyclic complexes

The products of matrix reactions of magnesium atoms and clusters with carbo n dioxide, ethylene, and their mixtures have been characterized by the IR a nd UV-vis techniques and ab initio methods of quantum chemistry. The struct ures, binding energies, and vibrational frequencies for the MgCO2, Mg(C2H4) (n) (n 1,2), and MgC2H4CO2 complexes are reported. We conclude that in the metastable MgCO2 species magnesium is bound to both oxygen atoms forming th e four-member ring. The structures of Mg(C2H4)(2) and MgC2H4CO2 correspond to the five-member cycles, and magnesium is responsible for the formation o f chemical bonds between the ligands.