“…[46,47] Calculations of the electronically excited states based on the optimized geometry of the ground state are also used to explain changes in fluorescence properties in cases where there is the charge or electron transfer between ligands and metal ions, such as the metal to ligand charge transfer (MLCT) or the ligand to metal electron transfer (LMET), and the ligand to metal charge transfer (LMCT) or the metal to ligand electron transfer (MLET). [13,22] For developing the fluorescent sensor 6 based on 4-N, N-dimethylaminocinnamaldehyde as a fluorophore for detection of Hg(II), Cu(II) and Ag(I) ions ( Figure 6), [13] based on the results obtained from calculations of the electronically excited states, Quang and co-workers have set up the frontier MOs energy diagrams of sensor 6 and its complexes with metal ions to explain the changes in fluorescence intensity of these compounds. [13] For Ag(I) complex ( figure 7), the complexation causes the ligand to metal electron transfer (LMET).…”