Benzodifuran-based fluorescent brighteners: A novel platform for plant cell wall imaging

N-Heterocyclic carbene derivatives to modify gold superatom characteristics. Tailorable electronic and optical properties of [Au11(PPh3)7LCl2]+ as a cluster from relativistic DFT

“…Further analysis of the optical HOMO–LUMO transition (S 0 → S 1 ) was carried out on the basis of natural transition orbitals (NTO) 111 given by two NTO pairs, providing a more suitable depiction of the orbitals involved in the electronic excitation process. 112 The obtained results support Au 11 3+ -core-centered transitions in clusters 1–4 , which change to core-to-ligand transitions in 5 and 6 , owing to the weaker σ-donor character of their 1,3-diisopropyl imidazopyrazin-2-ylidene and 1,3-diisopropyl oxalamid-2-ylidene NHC ligands, respectively. These results are similar to those for an NHC-protected Au 13 Cl 2 3+ cluster.…”