Concomitant Effects of Transition Metal Chelation and Solvent Polarity on the First Molecular Hyperpolarizability of 4-Methoxyacetophenone Thiosemicarbazone: A DFT Study

Figure 4

The electronic absorption spectra of L1 and its complexes in gas-phase and DMSO computed at CAM-B3LYP/6-31++G(d,p)/(SDD for metal ions) level of theory.