Abstract
New Gd3+, Ce3+, Sm3+, and Nd3+ complexes of indole-3-acetic acid hormone have been synthesized and analyzed by IR, Raman and UV-Vis spectra, XRD, analytical (elemental, EXD, SEM), and theoretical methods. IR spectra of complexes support eight (Gd3+ and Ce3+) and nine (Sm3+ and Nd3+) -fold coordinations via three ligands in their mononegative bidentate mode. Broadness in Raman spectrum of Ce3+ complex, reflects the possibility for its luminescence or conductivity features. UV-Vis spectra demonstrate weak intraconfigurational 4f-4f transitions within polyhedral geometry, which is known for such inner-transition ions. For most complexes, the optical band gap values have been calculated to be similar to that of the ligand, and the value calculated for Ce3+ complex is significantly low, which predicts its semiconductors-like feature. XDR patterns support nano-crystalline nature of HL complex with Sm3+. Hirshfeld contact surface has been obtained for two representative complexes (Gd3+ and Sm3+) by normalized contact distance d(norm), d(e), and d(i) models. In-silico study based on drug-likeness software as well as MOE-docking approach have been carried out. Complexes of Gd3+ and Sm3+ probably can stimulate auxin hormone or raise its efficiency within a plant, which leads to favorable economic and positive results for plant wealth.