Analogizing the Electronic Coupling Efficiency of Anthracene and its Derivatives

In this paper, we elucidated the observational changes in conductance of different anthracene derivatives namely anthracene, anthraquinone, anthracenediamine and anthracencedithiol through two-terminal molecular junctions at room temperature. The main purpose of this work was to show varying impacts of interference phenomena in anthracene molecule stringed to two identical electrodes by different end groups. We measured the varied effect in conduction with variations in temperature exhibited by them.Tight binding semi-empirical Extended Huckel Device approach was employed to presage the variations in conductance with the alteration of the anchor atoms for an organic molecule bounded between two semi-infinite gold electrodes. Transport characteristics (current-voltage and conductance-voltage) were simulated using a commercial simulation tool ATK-SE designed to predict transport characteristics at nanometer scale. From the results, we hereby, unambiguously concluded that the thiol group, being the most suitable anchor group with the organic molecules stringed to gold electrodes exhibiting the highest conductance and ensuring the strongest chemical bonding. The objective of this paper was selection of optimal anchoring group for further elucidation into the applications of anthracene and its derivatives towards organic electronics device applications.