Synthesis, Crystal Structure, and Optical and Photoelectrochemical Properties of a N∩O− Rhenium(I) Complex

Abstract

The neutral dimer complex Re2(CO)6(BIZ)2 was directly obtained from a simple reaction between Re(CO)5Cl and N∩OH-type ligand 2-(1-phenyl-1H-benzoimidazol-2-yl)phenol (HBIZ). The further reaction of Re2(CO)6(BIZ)2 with pyridine (Py) led to the monomeric Re(CO)3(BIZ)(Py), which was characterized by means of single-crystal X-ray diffraction analysis, 1H NMR, elemental analysis, and UV−visible absorption, photoluminescence, and infrared spectroscopy as well as cyclic voltammetry. The photoelectrochemical properties of Re(CO)3(BIZ)(Py) spin-coated film modified indium−tin oxide electrode were investigated, and a large cathodic photocurrent up to 0.55 μA/cm2 at −0.3 V bias potential was observed. The LUMO and HOMO energy levels of Re(CO)3(BIZ)(Py) were studied by density functional theory calculations. The possible mechanism of the photocurrent generation was discussed.