the research in the short-chain organic -conjugated molecules has become one of the most interesting topics in the fields of chemistry. these compounds have become the most promising materials for the optoelectronic device technology. the use of low band gap materials is a viable method for better harvesting of the solar spectrum and increasing its efficiency. the control of the band gap of th...

We discuss the relationship between the π-conjugation pattern, molecular length, and charge transport properties of molecular wires, both from an experimental and a theoretical viewpoint. Specifically, we focus on the role of quantum interference in the conductance properties of cross-conjugated molecules. For this, we compare experiments on two series of dithiolated wires. The first set we syn...

A series of new π-conjugated macrocycles (AzoM-n-E, n = 1–3) incorporating azobenzene units have been synthesized by a facile strategy in one-pot reaction. The resultant azobenzene-embedded feature intrinsic photoresponsive behaviors and intriguing supramolecular assembling properties. smallest macrocycle AzoM-1-E with rigid planar conjugated backbone structure is used to prepare the single cry...

Tunnelling currents through tunnelling junctions comprising molecules with cross-conjugation are markedly lower than for their linearly conjugated analogues. This effect has been shown experimentally and theoretically to arise from destructive quantum interference, which is understood to be an intrinsic, electronic property of molecules. Here we show experimental evidence of conformation-driven...

To explore the prospect of molecules involving silicon-silicon multiple bonds as nonlinear optical molecular systems, the relationship between the structure and the second hyperpolarizabilities γ of the oligomeric systems composed of carbon and silicon π-structures is investigated using the density functional theory method. It is found that these compounds indicate intramolecular charge transfe...

Cross-conjugated molecules are known to exhibit destructive quantum interference, a property that has recently received considerable attention in single-molecule electronics. Destructive quantum interference can be understood as an antiresonance in the elastic transmission near the Fermi energy and leading to suppressed levels of elastic current. In most theoretical studies, only the elastic co...