The energetics and reaction path in a series of S(N)2 substitution reactions at square-planar Pt(II) complexes have been studied by the application of density functional theory (DFT). Calculated free energies show excellent correlation with their experimental counterparts, while the enthalpic and entropic contributions individually indicate the presence of weak intermolecular interactions not acco...
The energetics and reaction path in a series of S(N)2 substitution reactions at square-planar Pt(II) complexes have been studied by the application of density functional theory (DFT). Calculated free energies show excellent correlation with their experimental counterparts, while the enthalpic and entropic contributions individually indicate the presence of weak intermolecular interactions not acco...