Related Experiment Video
Updated: May 7, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Structures and chiroptical properties of the BINAS-monosubstituted Au38(SCH3)24 cluster
Bertha Molina1, Ariadna Sánchez-Castillo, Stefan Knoppe
1Facultad de Ciencias, Universidad Nacional Autónoma de México, Apartado Postal 70-646, 04510 México D.F., Mexico.
Abstract:
The structure and optical properties of a set of R-1,1'-binaphthyl-2,2'-dithiol (R-BINAS) monosubstituted A-Au38(SCH3)24 clusters are studied by means of time dependent density functional theory (TD-DFT). While it was proposed earlier that BINAS selectively binds to monomer motifs (SR-Au-SR) covering the Au23 core, our calculations suggest a binding mode that bridges two dimer (SR-Au-SR-Au-RS) motifs. The more stable isomers show a negligible distortion induced by BINAS adsorption on the Au38(SCH3)24 cluster which is reflected by similar optical and Circular Dichroism (CD) spectra to those found for the parent cluster. The results furthermore show that BINAS adsorption does not enhance the CD signals of the Au38(SCH3)24 cluster.
Related Concept Videos
Chirality at Nitrogen, Phosphorus, and Sulfur
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...
Hybridization of Atomic Orbitals I
Prochirality
Structure of Amines
Hybridization of Atomic Orbitals II
Valence Bond Theory

