Transition Metal Complexes of Mixed Bioligands: Synthesis, Characterization, DFT Modeling, and Applications

Abdel‐Mottaleb, M. S. A.; Ismail, Eman Abdel Rahman

doi:10.1155/2019/3241061

Cited by 14 publications

(10 citation statements)

References 46 publications

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“…[1][2][3] Especially, transition metal complexes have great attention owing to have good behaviors for various applications such as sensor technology, energy storage, and catalysis. [4][5][6][7] N or O atoms have been used to form two-or three-dimensional mesh structures when the molecules are composed as donor ligands. To support polymeric structure, the donor ligands are located as links between metal centers.…”

Section: Introductionmentioning

confidence: 99%

Schottky type photodiodes with organic Co‐complex and Cd‐complex interlayers

Koçyiğit

Hussaini

Yıldırım

et al. 2022

Applied Organom Chemis

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Cd and Co metal centered nicotinamide/nicotinic acid complexes were synthesized by chemical reactions. The complexes were characterized by thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT‐IR), powder X‐ray diffractometer (P‐XRD), ultraviolet–visible (UV–Vis) spectrometer, and scanning electron microscopy (SEM) with energy dispersive X‐ray (EDX) detector. The complexes were used as interfacial layers in between Al and p‐Si to fabricate Al/Cd‐complex/p‐Si and Al/Co‐complex/p‐Si metal semiconductor devices. The devices were characterized by current–voltage (I‐V) and current‐time (I‐t) measurements under dark and various light power intensities. The ideality factor, barrier height, and series resistance values were extracted from I‐V measurements and discussed in detail by various techniques. The I‐t measurements were used to derive various detector parameters such as responsivity, photosensitivity, and specific detectivity for various power values and wavelength regions. The devices exhibited good photodiode and photodetector performance according to results, and they can be improved for optoelectronic applications.

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Section: Introductionmentioning

confidence: 99%

Schottky type photodiodes with organic Co‐complex and Cd‐complex interlayers

Koçyiğit

Hussaini

Yıldırım

et al. 2022

Applied Organom Chemis

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“…These compounds can form stable complexes with transition metal ions, such as Fe(III)/Fe(II) and Cu(II)/Cu(I), which play essential roles for living creatures, including electron transfer, catalysis, structural support, and protein folding/unfolding. [15][16][17][18][19][20] Abdel-Mottaleb et al 20 However, the chelation of natural amino acids toward transition metal ions may enhance the formation of reactive HO • radicals. 21,22 Milach et al 21 studied the amino acids and their derivatives using a fluorescent probe to assess their ability to accept and promote the HO • radicals' formation.…”

Section: Introductionmentioning

confidence: 99%

Influence of transition metal ions on the oxidation of L-proline amino acid initiated by HO● radical in the aqueous phase

Dao

Truong

Nguyen

2022

Preprint

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The oxidation of L-proline (Pro) amino acid by HO • radical and the influence of transition metal ions on this process have been investigated by using the density functional theory (DFT) method at the M05-2X/6-311++G(3df,3pd)//M05-2X/6-311++G(d,p) level of theory in the aqueous phase. The results show that Pro can be oxidized by HO • radical via formal hydrogen transfer (FHT) reactions at multiple sites, with the highest branching ratio found at hydrogen atoms H10 (30.04%) and H12 (25.60%). The overall rate constant at 298.15K is determined as 6.04 × 10 8 M -1 s -1 , and its expression from 250 to 400K is k=1.634×T 2.990 ×exp[1.591(kcal mol -1 )/RT] M -1 s -1 . In addition, Pro tends to form the stable mono-and bidentate complexes with both Fe and Cu ions via the-COO functional group of dipole-salt form, which significantly increases when the concentration of Pro doubles. The most stable Cu(II)-Pro complexes have high potential oxidant risks by enhancing the HO • radical formation when reducing agents such as superoxide anion, or ascorbate anion are available. Besides, the oxidant reaction of the high oxidation state complexes, including Fe(III)-Pro and Cu(II)-Pro, by HO • radical as FHT reactions have a lower rate constant than that of free-ligand, while the ones for SET reactions is extremely low even though they are higher than that of free-ligand. As a result, the Pro's oxidation enhancement of these complexes is negligible. In contrast, the rate constants of SET reactions of low oxidation state complexes (i.e., Fe(II)-Pro and Cu(I)-Pro) are likely to be many times faster than the oxidation rate of free ligand, and thus, these complexes promote the oxidation of Pro. Finally, the FHT chemical nature of HO-initiated oxidation for free Pro, Fe(III)-Pro, and Cu(II)-Pro complexes are evaluated to determine whether these processes occur via hydrogen atom transfer (HAT) or proton-coupled electron transfer (PCET).

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“…However, despite the applications of hydroxamates, there is a dearth of literature on theoretical studies of hydroxamates, and this is due to the challenge in modeling transition metal complexes [15,19]. Nevertheless, DFT has been used in studying transition metal complexes [25,26]. Herein, we study four novel chemicals having to contain hydroxamic and carboxylic acid functional groups and analyze their chelating ability to Fe 2+, which is the state of iron in the pyrite scale.…”

Section: Introductionmentioning

confidence: 99%

Molecular Design of Novel Chemicals for Iron Sulfide Scale Removal

Onawole

Hussein

Nimir

et al. 2021

Journal of Chemistry

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Scale deposition is a pertinent challenge in the oil and gas industry. Scales formed from iron sulfide are one of the troublous scales, particularly pyrite. Moreover, the use of biodegradable environmentally friendly chemicals reduces the cost compared to the conventional removal process. In this work, the chelating abilities of four novel chemicals, designed using the in silico technique of density functional theory (DFT), are studied as potential iron sulfide scale removers. Only one of the chemicals containing a hydroxamate functional group had a good chelating ability with Fe2+. The chelating strength and ecotoxicological properties of this chemical were compared to diethylenetriaminepentaacetic acid (DTPA), an already established iron sulfide scale remover. The new promising chemical surpassed DTPA in being a safer chemical and having a greater binding affinity to Fe2+ upon optimization, hence, a better choice. The presence of oxime (-NHOH) and carbonyl (C=O) moieties in the new chemical showed that the bidentate form of chelation is favored. Moreover, the presence of an intramolecular hydrogen bond enhanced its chelating ability.

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Transition Metal Complexes of Mixed Bioligands: Synthesis, Characterization, DFT Modeling, and Applications

Cited by 14 publications

References 46 publications

Schottky type photodiodes with organic Co‐complex and Cd‐complex interlayers

Schottky type photodiodes with organic Co‐complex and Cd‐complex interlayers

Influence of transition metal ions on the oxidation of L-proline amino acid initiated by HO● radical in the aqueous phase

Molecular Design of Novel Chemicals for Iron Sulfide Scale Removal

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