A novel dinuclear schiff base copper complex as an efficient and cost effective catalyst for oxidation of alcohol: Synthesis, crystal structure and theoretical studies
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TLDR
In this paper, an environmentally friendly protocol is described for an economic, practical laboratory-scale oxidation of primary and secondary alcohols to aldehydes and ketones, using a bis-chloro-bridged binuclear Cu(II) complex [(HL)Cu(μ 2-Cl)2Cu(HL)]*1.5 CH3OH as catalyst.Abstract:
An environmentally friendly protocol is described for an economic, practical laboratory-scale oxidation of primary and secondary alcohols to aldehydes and ketones, using a bis-chloro-bridged binuclear Cu(II) complex [(HL)Cu(μ
2-Cl)2Cu(HL)]*1.5 CH3OH as catalyst. The catalyst was prepared in situ from commercially available reagents and is characterized by single crystal X-ray analysis, FT-IR, UV-visible spectra, mass spectrometry, and powder x-ray diffraction (PXRD). The geometry of the complex has been optimized using the B3LYP level of theory confirming the experimental data. Our results demonstrated well the efficiency, selectivity and stability of this new catalyst in the oxidation of alcohols in ethanol and tert-butyl hydroperoxide (tBuOOH) as a green solvent and oxidant, respectively. Turnover number and reusability have proven the high efficiency and relative stability of the catalyst.read more
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References
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Synthesis, structure, and spectroscopic properties of copper(II) compounds containing nitrogen–sulphur donor ligands; the crystal and molecular structure of aqua[1,7-bis(N-methylbenzimidazol-2′-yl)-2,6-dithiaheptane]copper(II) perchlorate
TL;DR: In this article, the linear quadridentate N2S2 donor ligand 1,7-bis(N-methylbenzimidazol-2′-yl)-2,6-dithiaheptane (bmdhp) forms mono-and di-hydrate 1 : 1 copper(II) complexes which are significantly more stable toward autoreduction than those of the non-methylated analogue.
Journal ArticleDOI
SIR2004: an improved tool for crystal structure determination and refinement
Maria Cristina Burla,Rocco Caliandro,Mercedes Camalli,Benedetta Carrozzini,Giovanni Luca Cascarano,Liberato De Caro,C. Giacovazzo,Giampiero Polidori,Riccardo Spagna +8 more
TL;DR: SIR2004 as mentioned in this paper is the evolution of the SIR2002 program, which is devoted to the solution of crystal structures by direct and Patterson methods, and it is able to solve ab initio both small/medium-size structures as well as macromolecules (up to 2000 atoms in the asymmetric unit).