Closed Synthetic Cycle for Nickel-Based Dihydrogen Formation

Hosseinmardi S, Scheurer A, Heinemann FW, Marigo N, Munz D, Meyer K (2023)

Publication Type: Journal article

Publication year: 2023


DOI: 10.1002/chem.202302063


Dihydrogen evolution was observed in a two-step protonation reaction starting from a Ni0 precursor with a tripodal N-heterocyclic carbene (NHC) ligand. Upon the first protonation, a NiII monohydride complex was formed, which was isolated and fully characterized. Subsequent protonation yields H2 via a transient intermediate (INT) and an isolable NiII acetonitrile complex. The latter can be reduced to regenerate its Ni0 precursor. The mechanism of H2 formation was investigated by using a deuterated acid and scrutinized by 1H NMR spectroscopy and gas chromatography. Remarkably, the second protonation forms a rare nickel dihydrogen complex, which was detected and identified in solution and characterized by 1H NMR spectroscopy. DFT-based computational analyses were employed to propose a reaction profile and a molecular structure of the Ni−H2 complex. Thus, a dihydrogen-evolving, closed-synthetic cycle is reported with a rare Ni−H2 species as a key intermediate.

Authors with CRIS profile

Involved external institutions

How to cite


Hosseinmardi, S., Scheurer, A., Heinemann, F.W., Marigo, N., Munz, D., & Meyer, K. (2023). Closed Synthetic Cycle for Nickel-Based Dihydrogen Formation. Chemistry - A European Journal.


Hosseinmardi, Soosan, et al. "Closed Synthetic Cycle for Nickel-Based Dihydrogen Formation." Chemistry - A European Journal (2023).

BibTeX: Download