A comparative study of the topology of the experimental electron density within 2 and 4e(-) donor alkyne complexes

作者：Nuss Hanne; Claiser Nicolas^*; Pillet Sebastien; Lugan Noel; Despagnet Ayoub Emmanuelle; Etienne Michel; Lecomte Claude

来源：Dalton Transactions, 2012, 41(22): 6598-6601.

DOI：10.1039/c2dt30308f

A comparison of the topology of the experimental electron density, as revealed by high resolution X-ray diffraction, is provided for two prototypal transition metal alkyne complexes where the alkyne formally behaves as a 2 or 4e(-) donor. A higher value of the electron density rho(r)(bcp) at the M-T center dot center dot center dot C bond critical point (bcp), a lower value of rho(r)(bcp) at the coordinated C=C bcp, outwardly bent M center dot center dot center dot C bond paths and a close to zero ellipticity for the C=C bond constitute the topological signature of a 4e(-) donor alkyne ligand.

• 出版日期2012