Related Experiment Video
Updated: Sep 26, 2025
Synthesis of Near-Infrared Emitting Gold Nanoclusters for Biological Applications
Published on: March 22, 2020
Ligand Shell Isomerization Induces Different Fluorescence Origins of Two Au28 Nanoclusters
1Department of Chemistry, Key Laboratory for Green Organic Synthesis and Application of Hunan Province, Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education, Xiangtan University, Hunan Province 411105, China.
Abstract:
Understanding the origin of the photoluminescence (PL) phenomenon in ligand-protected metal nanoclusters is of paramount importance in both fundamental science and practical applications. In this study, we have studied the origin of fluorescence emission of two thiolate-ligand-protected Au28 clusters (Au28(CHT)20 and Au28(TBBT)20) by means of density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. Theoretical calculation results show that the ligand shell isomerization induces different ligand motif-to-metal core charge transfers (LMCT) of Au28(TBBT)20 and Au28(CHT)20. Moreover, in Au28(CHT)20, the emission process of S2 → S0 can compete favorably with the internal conversion of S2 → S1. Furthermore, the high quantum yield of Au28(CHT)20 is attributed to its high symmetric structure, which leads to less energy dissipation during the structural relaxation process.
Related Concept Videos
01:26Variables Affecting Phosphorescence and Fluorescence
03:02Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
01:14Photoluminescence: Applications