Seeking a Au-C stretch on gold nanoparticles with 13C-labeled N-heterocyclic carbenes

Chem Commun (Camb). 2023 Dec 7;59(98):14524-14527. doi: 10.1039/d3cc04973f.

Abstract

Gold nanoparticles were functionalized with natural abundance and 13C-labeled N-heterocyclic carbenes (NHCs) to investigate the Au-C stretch. A combinatorial approach of surface enhanced Raman spectroscopy (SERS) and density-functional theory (DFT) calculations highlighted vibrational modes significantly impacted by isotopic labeling at the carbene carbon. Critically, no isotopically-impacted stretching mode showed majority Au-C character.