Neutron Diffraction Studies of [Cp(PMe3)2RuH] and [Cp(PMe3)2RuH2]BF4 at 20 K

摘要: The crystal and molecular structures of [Cp(PMe3)2RuH] (1) [Cp(PMe3)2RuH2]BF4 (2) have been determined from neutron diffraction measurements at 20 K. Ru−H bond lengths in 1 (1.630(4) A) 2 (1.599(8), 1.604(9) are the first terminal distances to be by single-crystal diffraction. “Cp‘L2Ru” system is now studies monohydride, dihydride, dihydrogen species. This particular importance understanding activation H2 this metal−ligand fragment. Thus detailed comparisons with recent structure determination complex [Cp*(dppm)Ru(η2-H2)]BF4 (dppm = bis(diphenylphosphino)methane) [Klooster, W. T.; Koetzle, T. F.; Jia, G.; Fong, P.; Morris, R. H.; Albinati, A. J. Am. Chem. Soc. 1994, 116, 7677−7681] presented. A network C−H···F−BF3 hydrogen bonds links anion cation moieties 2. C(2)−H(2)···F(4) interaction has an H···F separation only 2.078(8)...