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- Title
Structures and Dynamics of the Mixed Dihydrogen/Hydride Complexes [Ru(PCP)(H)(H<sub>2</sub>) <sub>n</sub>] ( n = 1, 2) and [Ru(PNP)(H)<sub>2</sub>(H<sub>2</sub>)].
- Authors
Gunanathan, Chidambaram; Capelli, Silvia C.; Englert, Ulli; Hölscher, Markus; Leitner, Walter
- Abstract
The structures of three ruthenium pincer polyhydride complexes, [Ru(PCP)(H)(H2) n] {PCP = 2,5-bis(di- tert-butylphosphanylmethyl)benzene; n = 2 ( 1), n = 1 ( 2)} and [Ru(PNP)(H)2(H2)] {PNP = 2,5-bis(di- tert-butylphosphanyl)lutidine ( 3)}, were investigated by X-ray and neutron diffraction for 1 and only X-ray diffraction for 3, whereas all of the compounds together with the dynamics of the hydrogen centers were investigated by DFT calculations. All three analytical methods together generate a detailed understanding of the structures. DFT calculations, in particular, explain the occurrence of 1 and 2 in THF solution as well as the dynamics of the movement of the hydrogen centers in 3.
- Subjects
RUTHENIUM; NEUTRON diffraction; HYDROGEN; X-ray diffraction; BENZENE
- Publication
European Journal of Inorganic Chemistry, 2013, Vol 2013, Issue 29, p5075
- ISSN
1434-1948
- Publication type
Article
- DOI
10.1002/ejic.201301016