Amb motiu del tancament d'estiu, la validació de documents es reprendrà a partir del 28 d'agost de 2026. Disculpeu les molèsties.
Con motivo del cierre de verano, la validación de documentos se reanudará a partir del 28 de agosto de 2026. Disculpad las molestias
Due to the summer closure, document validation will resume starting August 28, 2026. We apologize for any inconvenience.

Files

681817.pdf (993.99 KB)

Document type

Article

Version

Accepted version

Publication date

2018-07-24

All rights reserved

Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/154499

Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds

Journal Title

Authors

Director/Tutor

Journal ISSN

Volume Title

Related resource

https://doi.org/10.1039/c8sc02337a

Abstract

We have studied the single-molecule conductance of a family of curcuminoid molecules (CCMs) using the mechanically controlled break junction (MCBJ) technique. The CCMs under study contain methylthio (MeS-) as anchoring groups: MeS-CCM (1), the free-ligand organic molecule, and two coordination compounds, MeS-CCM-BF2 (2) and MeS-CCM-Cu (3), where ligand 1 coordinates to a boron center (BF2 group) and to a CuII moiety, respectively. We found that the three molecules present stable molecular junctions allowing detailed statistical analysis of their electronic properties. Compound 3 shows a slight increase in the conductance with respect to free ligand 1, whereas incorporation of BF2 (compound 2) promotes the presence of two conductance states in the measurements. Additional experiments with control molecules point out that this bistability is related to the combination of MeS- anchoring groups and the BF2 moiety within the structure of the molecules. Theoretical calculations show that this can be explained by the presence of two conformers once compound 2 is anchored between the gold electrodes. An energy minimum is found for a flat structure but there is a dramatic change in the magnitude and orientation of dipole moment (favouring a non-flat conformer in the presence of an external electric field) due to a conformational change of one of the terminal MeS- groups. The results thus point to an intricate interplay between the applied bias voltage and the molecule dipole moment which could be the basis for designing new molecules aiming at controlling their conformation in devices.

Subject

Electrònica molecular, Lligands

Subject (English)

Molecular electronics, Ligands

Citation

Collections

Articles publicats en revistes (Química Inorgànica i Orgànica)

Citation

OLAVARRIA-CONTRERAS, Ignacio José, et al. Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds. Chemical Science. 2018. Vol. 9, num. 34, pags. 6988-6996. ISSN 2041-6520. [consulted: 15 of August of 2026]. Available at: https://hdl.handle.net/2445/154499

Export metadata

JSON - METS

Share record