THE MECHANISM OF FORMATION OF SILYLAMIDE MOLYBDENUM COMPLEXES WITH AN ACETONITRILE LIGAND |
| 1 | |
| 2014 |
| scientific article | 547.1'1:544.431+544.18 | ||
| 85-91 | silylamide molybdenum complexes, acetonitrile ligand, quantum-chemical study, density functional theory, reaction mechanis |
| The reaction mechanism of a molybdenum imido complex and coreactants to form the silylamido products with an acetonitrile ligand has been studied by the density functional theory (B3PW91/6-31G(d,p)). For reaction elementary steps, the energies and thermodynamic properties are determined, transition states are found and minimum energy reac- tion pathways are built. |
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