Ruthenium complexes of chelating amido-functionalized N-heterocyclic carbene ligands: Synthesis, structure and DFT studies
Sachin Kumar Anantha Narayanan Mitta Nageswar Rao Mobin M Shaikh Prasenjit Ghosh
Click here to view fulltext PDF
Permanent link:
https://www.ias.ac.in/article/fulltext/jcsc/123/06/0791-0798
Synthesis, structure and density functional theory (DFT) studies of a series of new ruthenium complexes, [1-(R)-3-𝑁-(benzylacetamido)imidazol-2-ylidene]RuCl(𝑝-cymene) [R = Me (1c), 𝑖-Pr (2c), CH2Ph (3c); 𝑝-cymene = 4-𝑖-propyltoluene] supported over $N/O$-functionalized N-heterocyclic carbene (NHC) ligands are reported. In particular, the ruthenium (1-3)c complexes were synthesized from the respective silver complexes, [1-(R)-3-𝑁-(benzylacetamido)imidazol-2-ylidene]2Ag+Cl− [R = Me (1b), 𝑖-Pr (2b), CH2Ph (3b)] by the treatment with [Ru(𝑝-cymene)Cl2]2 in 65-76% yields. The molecular structures of (1-3)c revealed the chelation of the N-heterocylic carbene ligand through the carbene center and an amido sidearm of the ligand in all of the three complexes. The density functional theory studies on the ruthenium (1-3)c complexes indicated strong binding of the NHC ligand to the metal center as was observed from the deeply buried NHC-Ru 𝜎-bonding molecular orbitals.
Sachin Kumar1 Anantha Narayanan1 Mitta Nageswar Rao1 Mobin M Shaikh2 Prasenjit Ghosh1
Volume 132, 2020
All articles
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode
© 2021-2022 Indian Academy of Sciences, Bengaluru.