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Abstract
The π-coordinated interaction of a palladium atom with acetylene and ethylene is investigated through theoretical calculations, including electron correlation effects. The interaction is analysed as a van der Waals one and it is concluded that the ground state of PdC2H2 and PdC2H4 molecules are bound by 48·93 kJ mol-1 and 85·85 kJ mol-1 relative to the ground state of the Pd (1S) atom, C2H2 (1Σg) and C2H4 (1Ag) molecules. A comparison with experimental results for this system is presented.