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      https://www.ias.ac.in/article/fulltext/jcsc/123/06/0791-0798

    • Keywords

       

      Carbenes; ruthenium; DFT; amido-functionalized NHC.

    • Abstract

       

      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.

    • Author Affiliations

       

      Sachin Kumar1 Anantha Narayanan1 Mitta Nageswar Rao1 Mobin M Shaikh2 Prasenjit Ghosh1

      1. Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India
      2. National Single Crystal X-ray Diffraction Facility, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India
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  • Journal of Chemical Sciences | News

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