Abstract

In situ X-ray absorption spectroscopy (XAS), infrared (IR) and nuclear magnetic resonance (NMR) techniques were used to identify the structures and reactivity of copper-containing active intermediates in the sp(2) C-H bond cleavage reaction of electron-deficient aromatics. An ate-complex [Cu((OBu)-Bu-t)(2)] Na was found to be able to cleave the C-H bond of benzothiazole (ArH) producing [ArCuI((OBu)-Bu-t)] Na with a rate constant of 3.2 x 10(-2) mol(-1) L s(-1) at -50 degrees C and with an activation enthalpy of 0.73 kcal mol(-1) at room temperature.