Donor-substituted Alkynes in Polynuclear Complexes

We are dedicated to the development of a coordination chemistry with α-donor substituted alkynes [X-C≡C-X]n- (X = O, S, NR, PR2, n = 0, 1, 2). These ligands can bridge two metals in different coordination modes including linear μ-k2-X,X’ (1), μ-η2-C,X2-C’,X’- (2) as well as the μ-η2-C,C'-k2-X,X' arrangement (3). Bonding mode 1 in particular is suitable for linking different metals, since the organometallic side-on coordination meets significantly different demands of a metal than the Werner-type chelate coordination. In addition, variation of the donor set allows adaption to the requirements of the second metal. Ultimately short metal-to-metal distances combined with the unsaturated nature of the bridging system support a strong electronic cooperativity of the linked metals.

A basic focus of our work is the exploration of synthetic concepts. Many donor alkynes must be generated in the primarily formed alkyne complex, since most of these electron-rich alkyne derivatives are intrinsically unstable. Furthermore, we study the electronic structure of the complexes obtained by means of spectroscopic and theoretical methods (NMR, IR, rRaman, UV-vis/NIR, EPR, cyclic voltammetry, DFT). Depending on the donor type either delocalized mixed-valent complexes or localized systems displaying redox isomerism are observed. In addition, the general redox activity of early-transition-metal alkyne complexes makes corresponding metalla-η2-C,C'-donor alkyne complexes promising as functional κ2-X,X' ligands for high electron-demand or redox-switchable catalysis (e.g. for X=PR2). The variability of the donor atoms should allow here a wide range of applications. 

The Figures show a dianionic trinuclear PdW2 complex 4 displaying a square planar coordinated Pd center and a nano-scale Cu4W4 supramolecular complex, in which four W-alkyne complex moieties and a Cu4 tetrahedron are held together by four acetylene-dithiolate ligands (acdt2-).

Key Publications