Publications in Scientific Journals:
Van An Du, G. Stipicic, M. Bendová, U. Schubert:
"Formation of the silylene-bridged complex Fe2(CO)6(μ2-SiCl2)3 from cis-Fe(CO)4(SiCl3)2: an experimental and computational study.";
Monatshefte für Chemie,
141
(2010),
6;
671
- 675.
English abstract:
Thermolysis of cis-Fe(CO)4(SiCl3)2 results in the formation of the novel compound Fe2(CO)6(μ2-SiCl2)3, which was characterized by single crystal X-ray diffraction. Density functional theory calculations were carried out to elucidate possible reaction steps leading to the formation of Fe2(CO)6(SiCl2)3, including CO dissociation and chlorine abstraction by a SiCl3 radical generated from homolytic Fe-Si bond cleavage involving a singlet-triplet intersystem crossing.
Keywords:
Metal silyl complexes - Homolytic bond cleavage - Bridging silylene ligand - DFT calculations
"Official" electronic version of the publication (accessed through its Digital Object Identifier - DOI)
http://dx.doi.org/10.1007/s00706-009-0240-5
Created from the Publication Database of the Vienna University of Technology.