Tuning Reactivity of Platinum(II) Complexes

4.3.1 DFT calculated Optimized Structures
The representative geometry- optimized structures for the complexes and the extract of
the calculated data are shown in Figure 4.2 and Table 4.1, respectively. The data in Table
4.1 shows that the calculated geometries around each of the Pt(II) centres exhibit a
slightly distorted square planar arrangement. The metrics agrees well with those from
previously described crystallographic data published in literature 24,25 for the complexes
cis-[{Pt(NH3)2Cl}2-μ-pzn](ClO4)2/or (NO3)2. As the pyrazine ligand is characterised by π-
acceptor ability. The calculations, on the other hand, show that the pyrazine ligand and
its methyl-substituted analogues all lie perpendicular to the Pt(II) centre, which means
that “electronic communication” between the Pt(II) centres through π-backbonding is
absent.
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