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Connectivity-Dependent Conductance of 2,2'-Bipyridine-Based Metal Complexes
Yahia Chelli1, Nicolò Ferri2, Andrea Vezzoli2
1School of Engineering, University of Warwick, Library Road, Coventry CV4 7AL, U.K.
Connectivity isomerization in metal-2,2'-bipyridine complexes significantly impacts molecular wire conductance. The para-system slightly increased conductance, while the meta-system caused destructive quantum interference, drastically reducing conductivity.
Area of Science:
- Materials Science
- Organic Chemistry
- Physical Chemistry
Background:
- Metal-2,2'-bipyridine complexes are crucial in molecular electronics.
- Understanding ligand structure-property relationships is key for designing molecular wires.
Purpose of the Study:
- To investigate the effect of connectivity isomerization in metal-2,2'-bipyridine complexes on molecular conductance.
- To synthesize and characterize new bipyridine ligands and their metal complexes.
Main Methods:
- Synthesis of novel 2,2'-bipyridine ligands (L^meta and L^para).
- Coordination chemistry to form rhenium and manganese complexes.
- Experimental and theoretical studies of molecular conductance.
Main Results:
- Coordination to the para-system enhanced conductance due to a reduced HOMO-LUMO gap.
- The meta-based system exhibited destructive quantum interference, significantly lowering junction conductance.
- Conductance was reduced to below 10^-5.5 G_o for the meta-system.
Conclusions:
- Contact group connectivity is a critical factor determining molecular wire conductance.
- Isomerization of ligand connectivity profoundly influences charge transport properties.
- The meta-system demonstrates a route to achieving very low conductance in molecular junctions.
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