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 carbon dioxide, ethylene, and their mixtures have been characterized by the IR and UV−vis techniques and ab initio methods of quantum chemistry. The structures, 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 the four-member ring. The structures of Mg(C2H4)2 and MgC2H4CO2 correspond to the five-member cycles, and magnesium is responsible for the formation of chemical bonds between the ligands.