Chemistry of the Au–Thiol Interface through the Lens of Single-Molecule Flicker Noise Measurements

[en] Chemistry of the Au–S interface at the nanoscale is one of the most complex systems to study, as the nature and strength of the Au–S bond change under different experimental conditions. In this study, using mechanically controlled break junction technique, we probed the conductance and analyzed Flicker noise for several aliphatic and aromatic thiol derivatives and thioethers. We demonstrate that Flicker noise can be used to unambiguously differentiate between stronger chemisorption (Au–SR) and weaker physisorption (Au–SRR′) type interactions. The Flicker noise measurements indicate that the gold rearrangement in chemisorbed Au–SR junctions resembles that of the Au rearrangement in pure Au–Au metal contact breaking, which is independent of the molecular backbone structure and the resulting conductance. In contrast, thioethers showed the formation of a weaker physisorbed Au–SRR′ type bond, and the Flicker noise measurement indicates the changes in the Au-anchoring group interface but not the Au–Au rearrangement like that in the Au–SR case. Additionally, by employing single-molecular conductance and Flicker noise analysis, we have probed the interfacial electric field-catalyzed ring-opening reaction of cyclic thioether under mild environmental conditions, which otherwise requires harsh chemical conditions for cleavage of the C–S bond. All of our conductance measurements are complemented by NEGF transport calculations. This study illustrates that the single-molecule conductance, together with the Flicker noise measurements can be used to tune and monitor chemical reactions at the single-molecule level.

Disciplines :

Chemistry
Physics

Author, co-author :

Rashid, Umar

Bro-Jørgensen, William

Harilal, KB

Sreelakshmi, PA

Mondal, Reetu Rani

Chittari Pisharam, Varun

Parida, Keshaba N.

Geetharani, K.

Hamill, Joseph ; Université de Liège - ULiège > Molecular Systems (MolSys)

Kaliginedi, Veerabhadrarao

Language :

English

Title :

Chemistry of the Au–Thiol Interface through the Lens of Single-Molecule Flicker Noise Measurements

Publication date :

February 2024

Journal title :

Journal of the American Chemical Society

ISSN :

0002-7863

eISSN :

1520-5126

Publisher :

American Chemical Society (ACS)

Volume :

146

Pages :

9063–9073

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 03 June 2026

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