Synthesis, Experimental and Theoretical Characterization of Bidentate 5-Nitro-2-(Pyridin-2-Yl)-1H-Benzo[D] Imidazole Ligand and its Pd (II) Complex

摘要

In this work, we report a combined experimental and theoretical study on the molecular structure and electronic and vibrational spectra of 5-nitro-2-(pyridin-2-yl)-1H-benzo[d] imidazole ligand, npbi, and its Pd(II) complex, which coordinating atoms of npbi is the imine and pyridine nitrogens. The nature of npbi and its complex were determined by IR an UV-Vis spectroscopy. The theoretical results obtained by performing DFT calculations, using the ADF 2009 package, compared with experimental results. The optimized geometric bond lengths and bond angles of npbi and its complex confirmed the complexation. The CHN data analysis confirmed the suggested structure of complex too.