Neutron diffraction studies of [Cp(PMe{sub 3}){sub 2}RuH] and [Cp(PMe{sub 3}){sub 2}RuH{sub 2}]BF{sub 4} at 20 K
- Univ. of Missouri, St. Louis, MO (United States)
- Brookhaven National Lab., Upton, NY (United States)
- Ohio Univ., Athens, OH (United States)
The crystal and molecular structures of [Cp(PMe{sub 3}){sub 2}RuH] (1) and [Cp(PMe{sub 3}){sub 2}RuH{sub 2}]BF{sub 4} (2) have been determined from neutron diffraction measurements at 20 K. The Ru-H bond lengths in 1 (1.630(4) A) and 2 (1.599(8), 1.604(9) A) are the first terminal Ru-H distances to be determined by single-crystal neutron diffraction. The `Cp`L{sub 2}Ru` system is now the first to have neutron diffraction studies of the monohydride, dihydride, and dihydrogen species. This is of particular importance in understanding the activation of H{sub 2} by this metal-ligand fragment. Thus detailed comparisons with the recent structure determination by neutron diffraction of the dihydrogen complex [Cp{sup *}(dppm)Ru({eta}{sup 2}-H{sub 2})]BF{sub 4} (dppm = bis(diphenylphosphino)methane) are presented. A network of C-H...F-BF{sub 3} hydrogen bonds links the anion and cation moieties in 2. The C(2)-H(2)...F- (4) interaction has an H...F separation of only 2.078(8) A, the shortest such interaction characterized to date by neutron diffraction. Ru-H stretching frequencies determined from the diffraction data are in good agreement with those from IR measurements. 30 refs., 3 figs., 6 tabs.
- Research Organization:
- Brookhaven National Laboratory (BNL), Upton, NY
- DOE Contract Number:
- AC02-76CH00016
- OSTI ID:
- 226696
- Journal Information:
- Organometallics, Journal Name: Organometallics Journal Issue: 6 Vol. 15; ISSN ORGND7; ISSN 0276-7333
- Country of Publication:
- United States
- Language:
- English
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