Electronic structure and polymerization of a self-assembled monolayer with multiple arene rings

Abstract

We find evidence of intermolecular interactions for a self-assembled monolayer (SAM) formed from a large molecular adsorbate, [1,${1}^{\ensuremath{'}}$;${4}^{\ensuremath{'}}$,${1}^{\ensuremath{''}}$-terphenyl]-4,${4}^{\ensuremath{''}}$-dimethanethiol, from the dispersion of the molecular orbitals with changing wave vector $k$. With the formation self-assembled molecular (SAM) layer, the molecular orbitals hybridize to electronic bands, with indications of significant band dispersion of the unoccupied molecular orbitals. The electronic structure is also seen to be dependent upon temperature, and cross linking between the neighbor molecules, indicating that the electronic structure may be subtly altered by changes in molecular conformation and packing.