om7b00113_si_001.pdf (1.38 MB)
A Heterobimetallic Pd–Zn Complex: Study of a d8–d10 Bond in Solid State, in Solution, and in Silico
journal contributionposted on 2017-03-20, 00:00 authored by Raphael J. Oeschger, Peter Chen
A heterobimetallic Pd(II)–Zn(II) complex has been prepared and characterized by X-ray diffraction analysis. An accompanying computational study shows that the bimetallic complex is predominantly stabilized by a short metal–metal bond; ΔG for the reversible dissociation of that bond in solution could be quantified by NMR-titration experiments. A comparison of the experimental crystal structure with previously calculated structures of intermediates and transition states for transmetalation in the Negishi coupling reveals close similarity.