Fachgebiet Theoretische Chemie - Quantenchemie

1 Items

Recent Submissions
Mechanism of the cooperative Si-H bond activation at Ru-S bonds

Stahl, Timo ; Hrobárik, Peter ; Königs, C. David F. ; Ohki, Yasuhiro ; Tatsumi, Kazuyuki ; Kemper, Sebastian ; Kaupp, Martin ; Klare, Hendrik F. T. ; Oestreich, Martin (2015)

The nature of the hydrosilane activation mediated by ruthenium(II) thiolate complexes of type [(R3P)-Ru(SDmp)](+)[BAr4F]- is elucidated by an in-depth experimental and theoretical study. The combination of various ruthenium(II) thiolate complexes and tertiary hydrosilanes under variation of the phosphine ligand and the substitution pattern at the silicon atom is investigated, providing detailed...