Abstract
We study the structural, optical, conductive and piezoresistive properties of d8 iridium dicarbonyl complexes with different β-diketonate ligands.
Highlights
We find that choice of b-diketonate ligand contributes significantly to the optical transitions of the molecules in solution by lowering the LUMO energy for complexes with p-conjugation or electronegative fluorine atoms
We observe that the choice of ligand plays a significant role in determining the structural packing in the molecular crystal
With the support of molecular orbital and band structure calculations, we show that these differences in structural packing have a profound impact on the optical transitions in the solid state, Materials and methods
Summary
These strong intermolecular interactions can provide a conductive pathway which can be enhanced under the application of pressure; for example, square planar platinum complexes Pt(bqd) (bqd = benzoquinonedioximato) and Pt(dmg) (dmg = dimethylglyoximato) undergo a 4-fold and 15-fold order of magnitude increase in conductivity on application of pressure, becoming metallic at 0.6–1.4 and 5 GPa, respectively.. These strong intermolecular interactions can provide a conductive pathway which can be enhanced under the application of pressure; for example, square planar platinum complexes Pt(bqd) (bqd = benzoquinonedioximato) and Pt(dmg) (dmg = dimethylglyoximato) undergo a 4-fold and 15-fold order of magnitude increase in conductivity on application of pressure, becoming metallic at 0.6–1.4 and 5 GPa, respectively.10–13 This behaviour originates from the increased interaction of Pt dz and ligand p-orbitals along the stacking axis, which is highly compressible under pressure..
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