Cooperation of Non‐covalent Interactions and Coordination in Catalysis

Maharramov, Abel M.; Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Aliyeva, Rafiga A.; Pombeiro, Armando J. L.

doi:10.1002/9781119113874.ch18

Cited by 35 publications

(42 citation statements)

References 52 publications

(43 reference statements)

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“…The π···π stacking interactions are observed in 1, which contribute to the reinforcement of the 1D polymeric structure. Such interactions are not only found between the phenolic and the phenolate rings, whose centroids are 3.603 Å apart, but also involve the five-membered metallacycles with centroids distant from a vicinal copper cation by 3.762 Å [37].…”

Section: Resultsmentioning

confidence: 99%

Catalytic Activity of Polynuclear vs. Dinuclear Aroylhydrazone Cu(II) Complexes in Microwave-Assisted Oxidation of Neat Aliphatic and Aromatic Hydrocarbons

et al. 2018

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One-dimensional (1D) polynuclear Cu(II) complex (1) derived from (5-bromo-2-hydroxybenzylidene)-2-hydroxybenzohydrazide (H2L) is synthesized and characterized by elemental analysis, IR spectroscopy, ESI-MS, and single crystal X-ray crystallography. Its catalytic performance towards the solvent-free microwave-assisted peroxidative oxidation of aliphatic and aromatic hydrocarbons under mild conditions is compared with that of dinuclear Cu(II) complexes (2 and 3) of the same ligand, previously reported as antiproliferative agents. Polymer 1 exhibits the highest activity, either for the oxidation of cyclohexane (leading to overall yields, based on the alkane, of up to 39% of cyclohexanol and cyclohexanone) or towards the oxidation of toluene (selectively affording benzaldehyde up to a 44% yield), after 2 or 2.5 h of irradiation at 80 or 50 °C, respectively.

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Section: Resultsmentioning

confidence: 99%

Catalytic Activity of Polynuclear vs. Dinuclear Aroylhydrazone Cu(II) Complexes in Microwave-Assisted Oxidation of Neat Aliphatic and Aromatic Hydrocarbons

et al. 2018

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“…The delocalized system of π electrons of carbonaceous materials is beneficial for π-π interactions with aromatic groups of substrates and for constructing electron-enriched vacancy defects which facilitate redox processes [ 9 , 13 , 14 , 15 , 16 ]. Due to these reasons as well as their high chemical stability, mechanical resistance, large surface area, tunable electronic, and physicochemical features, the carbon-based materials are broadly used as catalysts and catalyst supports in many industrially important processes [ 17 , 18 , 19 , 20 , 21 ], while mechanochemical methods have been applied for their preparation and functionalization [ 9 , 10 , 11 , 12 , 22 , 23 , 24 ].…”

Section: Introductionmentioning

confidence: 99%

Mechanochemical Preparation of Pd(II) and Pt(II) Composites with Carbonaceous Materials and Their Application in the Suzuki-Miyaura Reaction at Several Energy Inputs

et al. 2020

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Pd(II) and Pt(II) composites with activated carbon (AC), graphene oxide, and multiwalled carbon nanotubes were prepared by ball milling and used as catalysts for the Suzuki-Miyaura reaction, under several energy inputs (mechanical grinding, conventional heating, and microwave irradiation). The catalytic composites were characterized by ICP-MS, BET, XPS analyses, TEM, and SEM. The average particle size of the prepared composites was estimated to be in the range of 6–30 nm, while the loadings of Pd and Pt did not significantly affect the surface area of the AC support due to the tendency to agglomerate as observed by the TEM analysis. The Pd/AC composites exhibit high mechanochemical catalytic activity in cross-coupling of bromobenzene and phenylboronic acid with molar yields up to 80% with TON and TOF of 222 and 444 h−1, respectively, achieved with Pd(4.7 wt%)-AC catalyst under the liquid assisted grinding for 0.5 h at ambient conditions, using cyclohexene as an additive.

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“…The non-covalent interactions help in the synthesis of the targeted novel material that plays a key role in catalysis as well as enhances the bioactive potential of synthesized compounds. 16 In the current study, we are reporting the synthesis, spectroscopic characterization, and DFT/TD-DFT studies that reveal non-covalent interactions in novel pyridine-based halogenated hydrazones.…”

Section: Introductionmentioning

confidence: 99%

An Experimental and Computational Exploration on the Electronic, Spectroscopic, and Reactivity Properties of Novel Halo-Functionalized Hydrazones

et al. 2020

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Herein, halo-functionalized hydrazone derivatives “2-[(6′-chloroazin-2′-yl)oxy]- N ′-(2-fluorobenzylidene) aceto-hydrazone ( CPFH ), 2-[(6′-chloroazin-2′-yl)oxy]- N ′-(2-chlorobenzylidene) aceto-hydrazones ( CCPH ), 2-[(6′-chloroazin-2′-yl)oxy]- N ′-(2-bromobenzylidene) aceto-hydrazones ( BCPH )” were synthesized and structurally characterized using FTIR, 1 H-NMR, 13 C-NMR, and UV–vis spectroscopic techniques. Computational studies using density functional theory (DFT) and time dependent DFT at CAM-B3LYP/6-311G (d,p) level of theory were performed for comparison with spectroscopic data (FT-IR, UV–vis) and for elucidation of the structural parameters, natural bond orbitals (NBOs), natural population analysis, frontier molecular orbital (FMO) analysis and nonlinear optical (NLO) properties of hydrazones derivatives ( CPFH , CCPH , and BCPH ). Consequently, an excellent complement between the experimental data and the DFT-based results was achieved. The NBO analysis confirmed that the presence of hyper conjugative interactions was pivotal cause for stability of the investigated compounds. The energy gaps in CPFH , CCPH , and BCPH were found as 7.278, 7.241, and 7.229 eV, respectively. Furthermore, global reactivity descriptors were calculated using the FMO energies in which global hardness revealed that CPFH was more stable and less reactive as compared to BCPH and CCPH . NLO findings disclosed that CPFH , CCPH , and BCPH have superior properties as compared to the prototype standard compound, which unveiled their potential applications for optoelectronic technology.

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Cooperation of Non‐covalent Interactions and Coordination in Catalysis

Cited by 35 publications

References 52 publications

Catalytic Activity of Polynuclear vs. Dinuclear Aroylhydrazone Cu(II) Complexes in Microwave-Assisted Oxidation of Neat Aliphatic and Aromatic Hydrocarbons

Catalytic Activity of Polynuclear vs. Dinuclear Aroylhydrazone Cu(II) Complexes in Microwave-Assisted Oxidation of Neat Aliphatic and Aromatic Hydrocarbons

Mechanochemical Preparation of Pd(II) and Pt(II) Composites with Carbonaceous Materials and Their Application in the Suzuki-Miyaura Reaction at Several Energy Inputs

An Experimental and Computational Exploration on the Electronic, Spectroscopic, and Reactivity Properties of Novel Halo-Functionalized Hydrazones

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