Abstract
The π-coordinated interaction of the palladium atom with acetylene has been studied using a double-zeta basis set, and also with the inclusion of polarization functions. CAS-CI and selected CI wave functions perturbed to second-order in energy are used to take into account electronic correlation effects. The results give further support to the view that a weakly bonded π complex is actually present in the Pd/C2H2 system.
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