Fig. 6: C–H activation and electrochemical KIE measurements. | Nature Communications

Fig. 6: C–H activation and electrochemical KIE measurements.

From: Characterization of paramagnetic states in an organometallic nickel hydrogen evolution electrocatalyst

Fig. 6: C–H activation and electrochemical KIE measurements.The alt text for this image may have been generated using AI.

a Growth of the NMR signal corresponding to the ipso C–H (~7.24 ppm, singlet) bond when NCDS2 and NiOTf2 were mixed together in 1:1 CD3CN:CD2Cl2 and heated in a J-Young NMR tube and heated at 80 °C over the course of 3 days. b A representative example of an electrochemical kinetic isotope effect (KIE) experiment. Titrations of CF3COOH or CF3COOD into a 0.1 M TBAPF6/MeCN produced catalytic currents. These currents were normalized by the ipc (NiII/I) under N2 atmosphere at the same catalyst concentrations. The normalized currents (ic/ip) were plotted for CF3COOH and CF3COOD versus acid concentrations and the KIE was obtained as explained in the Supporting Information. c The likely source of inverse KIE in HER catalysis is the cleavage of the Ni–C bond to form C–H(D) bond due to a proton-coupled electron transfer step. These bonds are highlighted in blue for the Ni–H species and pink for the Ni–D species, respectively.

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