A SCF molecular orbital study using the non-empirical pseudopotential model is reported for the palladium-ethylene interaction. This organometallic system is found to be weakly bound, while the molecular orbital energy levels of the olefin and Pd atom are only slightly perturbed. The ethylene's C-C distance is relaxed and its planar structure is almost undistorted. A comparison with experimental results for the Pd-C2H4 system, as well as with other theoretical studies on similar systems, is presented.
No takes yet. Share an insight, caveat, or question.
García-Prieto et al. (1980) studied this question.
Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context: