We studied the second-order NLO properties in solution of various Ir(III) acetylacetonate complexes bearing a substituted cyclometallated 4-styryl-2-phenylpyridine (ppy-4-styryl-R, with R聽=聽NEt
2, OMe, H, NO
2) with the EFISH technique. The dipole moments were evaluated by Density Functional Theory (DFT) calculations.
We have also investigated the Second Harmonic Generation (SHG) of composite films based on the various cyclometallated Ir(III) complexes dispersed and oriented in a polymethylmethacrylate (PMMA) matrix.