Ligand Electrochemical Parameter Approach to Molecular Design. σ-Donation, π-Back Donation, and Other Metrics in Ruthenium(II) Dinitrogen Complexes.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.1c02707
Abstract: Using the density functional theory, [(N2)RuIIL5]n+ species are studied in silico. The properties of the Ru-N2 bond are derived, including σ-donation, π-back donation, Ru-N and N-N bond lengths and bond orders, net charges and NN… read more here.
Keywords: ligand electrochemical; donation; design; donation back ... See more keywords
Back-Donation in High-Valent d0 Metal Complexes: Does It Exist? The Case of NbV.
Sign Up to like & getrecommendations! Published in 2017 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.7b01635
Abstract: In the last years, some N-heterocyclic carbene (NHC) complexes of high-valent d0 transition-metal halides have been structurally characterized, showing a significant short distance between the carbene carbon and the cis-halide ligands (Clax). Some authors attributed… read more here.
Keywords: back donation; case; metal; carbene ... See more keywords