(1
2
3-Triazol-4-yl)pyridine
Redox potential
Iron
DFT
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Eight different Dichloro(bis{2-[1-(4-R-phenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})iron(II) compounds, 2–9,
have been synthesised and characterised, where group R=CH3 (L2), OCH3 (L3), COOH (L4), F (L5), Cl (L6), CN
(L7), H (L8) and CF3 (L9). The single crystal X-ray structure was determined for the L3 which was complemented
with Density Functional Theory calculations for all complexes. The structure exhibits a distorted octahedral
geometry, with the two triazole ligands coordinated to the iron centre positioned in the equatorial plane and the
two chloro atoms in the axial positions. The values of the FeII/III redox couple, observed at ca. −0.3 V versus Fc/
Fc+ for complexes 2–9, varied over a very small potential range of 0.05 V.
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