Regulating the Single-Molecule Conductance of Corroles by the Substituents on the B-Site

Xu, Ling; Pan, Zi-You; Guo, Wenwu; Mack, John; Soy, Rodah C.; Nyokong, Tebello; Zhang, Qian‐Chong; Zhu, Weihua

doi:10.1021/acs.jpcc.2c07140

Cited by 4 publications

(3 citation statements)

References 34 publications

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“…The exceptional conductance shift in the U-R series due to chemical gating shows clearly the impact of a pendant substituent on conductance. In contrast, chemical gating − that simply shifts the conducting orbital yields much smaller changes (<15) in conductance, similar to what is observed in the C-R series. There is a second peak around 1 × 10 –4 G 0 , which is not as sharp as that of the junctions formed by the cation.…”

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confidence: 63%

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Effective Gating in Single-Molecule Junctions through Fano Resonances

Prindle,

Shi,

et al. 2024

J. Am. Chem. Soc.

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The successful incorporation of molecules as active circuit elements relies on the ability to tune their electronic properties through chemical design. A synthetic strategy that has been used to manipulate and gate circuit conductance involves attaching a pendant substituent along the molecular conduction pathway. However, such a chemical gate has not yet been shown to significantly modify conductance. Here, we report a novel series of triarylmethylium and triangulenium carbocations gated by different substituents coupled to the delocalized conducting orbitals on the molecular backbone through a Fano resonance. By changing the pendant substituents to modulate the position of the Fano resonance and its coupling to the conducting orbitals, we can regulate the junction conductance by a remarkable factor of 450. This work thus provides a new design principle to enable effective chemical gating of single-molecule devices toward effective molecular transistors.

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confidence: 63%

“…Note that E and ε are relative to E F which is set to zero. Chemical substituents on the molecular backbone can be used to alter ε to tune transmission and thus single-molecule junction conductance. , However, this type of tunability is generally minimal, in part because ε is often large − and gating does not change Γ significantly.…”

mentioning

confidence: 99%

Effective Gating in Single-Molecule Junctions through Fano Resonances

Prindle,

Shi,

et al. 2024

J. Am. Chem. Soc.

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show abstract

“…They find that the introduction of electron-withdrawing groups increases the energy gap between the HOMO and LUMO, which enlarges the energy barrier between the E F and the frontier orbitals and suppresses the conductance, while the electron-donating group could enhance the conductance by shrinking the gap. 69 The substituents on the phenyl group, although the QIE caused by the substituted site dominates the conductance, the low conductance, which is analyzed by the clustering method to exhibit the conductance peak in a one-dimensional histogram, demonstrated the variation with the change of the substituent. 70 This new statistical method is used to mask the donation of the QIE in aromatic groups and exposes the influence of the electronic effect of substituents in phenyl systems.…”

Section: Discussion Of the Influence Of Substituents On Single-molecu...mentioning

confidence: 99%