Skip to Main content Skip to Navigation
Journal articles

Molecular Description of Grafted Supramolecular Assemblies on Gold Surfaces: Effect of Grafting Points and Chain Lengths

Abstract : The association of the 4 aminoazobenzene (4AA) by two different water-soluble hosts, β-Cyclodextrins (β-CD) and calixarenesulfonates (CnS), was studied in heterogeneous conditions using molecular simulations. This situation is achieved by immobilization of macrocycles onto a gold Au (111) surface. Severals factors that can influence the binding properties are investigated here through the chain length of alkylthiols spacer of the surface-immobilized host and the number of attachments points to the surface. A conformational change of β-CD as a function of the chain length is evidenced upon grafting on the gold surface whereas CnS does not show any changes. It is then possible to tune the thermodynamic properties of β-CD by changing the grafted chain length and forming a larger hydrophobic region. The mechanisms of insertion of the guests into the cavities are similar to those obtained in homogeneous system. Whereas the 4AA is included longitudinally in the β-CD cavity, it interacts rather with the sulfonate groups at the outer edge of the cavity.
Document type :
Journal articles
Complete list of metadatas

https://hal.uca.fr/hal-03028749
Contributor : Patrice Malfreyt <>
Submitted on : Friday, November 27, 2020 - 5:10:12 PM
Last modification on : Tuesday, December 1, 2020 - 3:25:57 AM

File

pub14-v4.pdf
Files produced by the author(s)

Licence


Distributed under a Creative Commons Attribution 4.0 International License

Identifiers

Citation

Ludovic Garnier, Christine Bonal, Patrice Malfreyt. Molecular Description of Grafted Supramolecular Assemblies on Gold Surfaces: Effect of Grafting Points and Chain Lengths. ACS Omega, ACS Publications, 2020, 5 (27), pp.16628-16634. ⟨10.1021/acsomega.0c01453⟩. ⟨hal-03028749⟩

Share

Metrics

Record views

25

Files downloads

31