Intermediate snapshot on the insertion reaction of isocyanates into the Zn–Cp* bond of dizincocene Cp*2Zn2

Abstract

Heteroleptic Zn(I) complexes Cp*Zn–Zn(N(R)C(Cp*)O) (R = Dipp = 2,6-i-Pr₂-C₆H₃2, t-Bu 3) with unsymmetrically η⁴-coordinated Cp* substituents represent snapshots of the insertion reaction of RNCO into the Zn–Cp* bond of Cp*₂Zn₂1. The bonding situation in 2 and 3, which represent the first Zn(I) olefin complexes, was evaluated by computational calculation and further compared to other Zn(I) complexes.