This article is cited in 4 papers

Communications

Cyclobutadiene nickel complex as a catalyst for CH-activation reactions: computational study

N. M. Ankudinov^ab, D. S. Perekalin<sup>bc

a</sup> Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^b A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, Russian Federation
^c G.V. Plekhanov Russian University of Economics, Moscow, Russian Federation

Abstract: DFT calculations suggest that, similarly to the classical [CpRhCl₂]₂ catalyst, the isolobal cyclobutadiene nickel complex [(C₄Me₄)NiCl₂]₂ can promote CH-activation of arenes (activation barrier is about 30kcalmol⁻¹).

Language: English

DOI: 10.1016/j.mencom.2019.05.007

Bibliographic databases:

•