Molecular investigation reveals superior electronic mediation by oxygen compared to sulfur in diferrocenyl wires, highlighting orbital overlap principles for designing efficient organic electronics.
Diferrocenyl molecular "wires", in which two ferrocenes are linked by a conjugated chain, allowing the communication of redox information between the ferrocenes, are a versatile platform on which to investigate notions of molecular conductivity. In this paper, we examine the role of heteroatoms--including O, P, S, and Se, as well as C atoms in various oxidation states--separated from the ferrocenes by intervening double bonds which minimize any steric effects. Surprisingly, oxygen is a better electronic mediator than sulfur, a phenomenon we attribute to superior molecular orbital overlap. These fundamental studies on redox coupling will help to guide the design of efficient organic conductors for organic electronics.
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Li et al. (2010) studied this question.
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