2020
DOI: 10.1002/aoc.5531
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Catalytic and antibacterial properties of 3‐dentate carboxamide Pd/Pt complexes obtained via a benign route

Abstract: The complexes PdII(qcq)(OAc) and PtII(qcq)Cl have been synthesized using environmentally benign synthesized ligands and characterized by elemental analyses: Fourier transform infrared spectroscopy, UV–visible spectroscopy, 1H NMR spectroscopy, and X‐ray diffraction. The catalytic activity of the complex was assessed, in different media, for the Mizoroki–Heck coupling reaction for typical aryl halides and terminal olefins under aerobic conditions. Since the base and the solvent were found to influence the effic… Show more

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Cited by 9 publications
(4 citation statements)
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“…52,53 The geometric parameters of the optimized structure were compared to the structures of analogous palladium complexes. 54,55 All of the calculated distances matched the crystallographic distances within three significant figures (Table S4). Spin-restricted Kohn−Sham determinants were chosen to describe the closed-shell wave functions, employing the resolution of the identity (RI) approximation and the tight SCF convergence criteria provided by ORCA.…”
Section: ■ Introductionsupporting
confidence: 60%
See 1 more Smart Citation
“…52,53 The geometric parameters of the optimized structure were compared to the structures of analogous palladium complexes. 54,55 All of the calculated distances matched the crystallographic distances within three significant figures (Table S4). Spin-restricted Kohn−Sham determinants were chosen to describe the closed-shell wave functions, employing the resolution of the identity (RI) approximation and the tight SCF convergence criteria provided by ORCA.…”
Section: ■ Introductionsupporting
confidence: 60%
“…Despite repeated attempts, we were unable to obtain crystals of suitable quality to study by using X-ray diffraction experiments. Thus, we chose to study the Pd–GAP complexes computationally via density functional theory (DFT) to determine their optimized structures and hence the coordination chemistry of the complexes. , Geometries and free enthalpies for the complexes were calculated using the PBE exchange–correlation functional with the zeroth-order regular approximation (ZORA). , The geometric parameters of the optimized structure were compared to the structures of analogous palladium complexes. , All of the calculated distances matched the crystallographic distances within three significant figures (Table S4). Spin-restricted Kohn–Sham determinants were chosen to describe the closed-shell wave functions, employing the resolution of the identity (RI) approximation and the tight SCF convergence criteria provided by ORCA .…”
Section: Resultsmentioning
confidence: 99%
“…However, to date, many of these conventional nanomaterials were never fully tested before their wide acceptance in various industrial applications. Nevertheless, it is clear that for the improvement of human health and the environment, it would be better to use green, or environmentally safe, nanomaterials to reduce the use of toxic chemicals commonly used in nanoparticle synthesis today [1][2][3][4][5][6][7].…”
Section: Introductionmentioning
confidence: 99%
“…[13,33] However, late transition metal amido complexes have been found to be potential catalysts for many organic transformations including transfer hydrogenation to an unsaturated substrate and coupling reactions (Figure 1). [34][35][36][37][38][39][40][41][42][43][44][45][46] The intrinsic structure of the pincer ligands allows the development of late transition metal amido complexes and to explore their catalytic activities. [47,48] Palladium-catalyzed cross-coupling reactions are important and pioneering methodology for producing the C sp 2 À C sp 2 , C sp 2 À N and C sp 2 À O in the synthesis of industrially important valueadded molecules and other natural products, bioactive compounds, polymers, and materials.…”
Section: Introductionmentioning
confidence: 99%