The Role of Anionic Ligands on Photoreactivity in Mo(VI) Dioxo Complexes of the Form MoO X (NN).

The photoreactivity of d metal dioxo complexes in activating C-H bonds has been recently studied. We have previously reported that MoO Cl (bpy- Bu) is an effective platform for light initiated C-H activation with unique product selectivity for the overall functionalization. Herein we expand on these studies and report the synthesis and photoreactivity of several new Mo(VI) dioxo complexes with the general formula MoO (X) (NN); where X=F , Cl , Br , CH , PhO , BuO and NN=2,2'-bipyridine (bpy) or 4,4'-tert-butyl-2,2'bipyridine (bpy- Bu).

Light-Initiated C-H Activation via Net Hydrogen Atom Transfer to a Molybdenum(VI) Dioxo.

MoOCl(bpy-Bu) () is shown to be a potent one-electron oxidant upon irradiation with 365 nm light in various solvents, while being a weak two-electron oxidant in the dark. Complex is characterized to activate various types of C-H bonds photochemically, including allylic and benzylic positions as well as alkanes and aldehydes. In all of these oxidations, ultimately forms a bimetallic Mo(V)/Mo(V) species with a μ-oxo ligand ().

Sensing of Acetaminophen Drug Using Zn-Doped Boron Nitride Nanocones: a DFT Inspection.

During environmental testing, scientists face the problem of developing and designing a new type of sensor electrode with distinguished stability, high activity, and cost-effectiveness to detect acetaminophen (ACE). Density functional theory (DFT) calculations were used to investigate the interaction and electrical response of Zn-doped and pristine boron nitride nanocones (BNNCs) with and to ACE with the disclination angle of 240°. The adsorption energy for ACE in the Zn-doped was - 56.