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Title: Selective oxidation of benzyl alcohol catalyzed by ruthenium (III) complexes derived from tridentate mer-ligands having phenolato donor
Authors: Ratnam A.
Kumari S.
Kumar R.
Singh, Udai Pratap
Ghosh, Kaushik
Published in: Journal of Organometallic Chemistry
Abstract: In this work, four ruthenium complexes [Ru(L )(PPh )Cl ](1–4) containing phenolate-imine ligands [L H = condensed product of 2-(1-phenylhydrazinyl)-pyridine with different substituted salicylaldehyde, H = phenolic dissociable proton] were synthesized and characterized by different spectroscopic methods like IR and UV–Visible spectral studies. Solid-state structures of complexes 1 and 2 were determined by single-crystal X-ray diffraction and tridentate coordination of the ligand having NNO donors was observed in a meridional fashion. Structure optimization was performed by density functional theory (DFT) calculations. Time-dependent DFT (TD-DFT) method was utilized to explain and assign UV–Visible absorption bands found for complexes. These complexes were utilized for the oxidation of benzyl alcohol to benzaldehyde. The plausible mechanism for benzyl alcohol oxidation was proposed on the basis of literature. In situ generated Ru [dbnd]O intermediate obtained in solution in presence of various oxidants viz. H O m-CPBA, TBHP was supposed to be key intermediate for such oxidation.
Citation: Journal of Organometallic Chemistry(2020), 905
Issue Date: 2020
Publisher: Elsevier B.V.
Keywords: Benzyl alcohol oxidation
DFT and TD-DFT calculations
Ruthenium (III) complexes
X-ray structural analysis
Density functional theory
Reaction intermediates
Single crystals
Spectroscopic analysis
Structural optimization
Synthesis (chemical)
Benzyl alcohol oxidation
Plausible mechanisms
Ruthenium complexes (III)
Single cry
ISSN: 0022328X
Author Scopus IDs: 56380287900
Author Affiliations: Ratnam, A., Department of Chemistry, DDU Gorakhpur University, Gorakhpur, 273009, India
Kumari, S., Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Kumar, R., Department of Chemistry, Indian Institute of Technol
Funding Details: Council of Scientific and Industrial Research, India, CSIR: 01(2942)/18/EMR-II Indian Institute of Technology Roorkee, IITR.KG is thankful to CSIR , New Delhi ( 01(2942)/18/EMR-II dated 01-05-2018) for financial assistance. SK is thankful to CSIR, New Delhi. RK and AR are thankful to IIT Roorkee for their fellowship. We are also thankful to Kapil Tomar for his help.
Corresponding Author: Ghosh, K.; Department of Chemistry, India; email:
Appears in Collections:Journal Publications [CY]

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