DFT study of isomers of the ruthenium dihydride complex RuH2(CO)2(AsMe2Ph)2
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3263-6
Abstract: AbstractA density functional theory (DFT) study of cct-As, ccc, and cct-CO isomers of the ruthenium dihydride complex RuH2(CO)2(AsMe2Ph)2 is reported (see Scheme for the labeling isomer 34 structures of RuH2(CO)2(AsMe2Ph)2). Complex geometries and relative energies… read more here.
Keywords: ruthenium dihydride; ruh2 asme2ph; dihydride complex; isomers ruthenium ... See more keywords
Iron Dihydride Complex Stabilized by an All-Phosphorus-Based Pincer Ligand and Carbon Monoxide.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c01027
Abstract: PNP-pincer-stabilized iron carbonyl dihydride complexes are key intermediates in catalytic hydrogenation and dehydrogenation reactions; however, decomposition through these intermediates has been observed. This inspires the development of a PPP-pincer system that may show improved catalyst… read more here.
Keywords: pincer; iron; dihydride complex; dihydride ... See more keywords