The structures of three ruthenium pincer polyhydride complexes, [Ru(PCP)(H)(H 2 ) n ] {PCP = 2,5‐bis(di‐ tert ‐butylphosphanylmethyl)benzene; n = 2 ( 1 ), n = 1 ( 2 )} and [Ru(PNP)(H) 2 (H 2 )] {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 .
No takes yet. Share an insight, caveat, or question.
Gunanathan et al. (2013) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: