Theoretical and Experimental Analysis of Oxygen Separation from Air over Ni-Transition Metal Complexes

Miller, Duane D.; Siriwardane, Ranjani; Simonyi, Thomas

doi:10.1021/ef200779m

Cited by 8 publications

(2 citation statements)

References 75 publications

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“…The Raman band is also subjected to the type of reaction, O 2 carriers, and catalysts. For instance, O 2 •– exhibits stretching vibrations at 1128 and 1160–1015 cm –1 when generated on CaO–Al 2 O 3 and MgO–CoO, respectively . Although O 2 •– is considered as a superior nucleophile in aprotic solvents, there is no such reactivity exhibited in H 2 O, presumably due to the strong solvation and spontaneous disproportionation. ,, The electron-transfer thermodynamic data of O 2 •– and other radicals were determined and discussed by Sawyer. , …”

Section: Main Characteristics Of the Superoxide Ionmentioning

confidence: 99%

See 1 more Smart Citation

Superoxide Ion: Generation and Chemical Implications

Hayyan¹,

Hashim²,

AlNashef³

2016

Chem. Rev.

1,718

1,058

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Superoxide ion (O2(•-)) is of great significance as a radical species implicated in diverse chemical and biological systems. However, the chemistry knowledge of O2(•-) is rather scarce. In addition, numerous studies on O2(•-) were conducted within the latter half of the 20th century. Therefore, the current advancement in technology and instrumentation will certainly provide better insights into mechanisms and products of O2(•-) reactions and thus will result in new findings. This review emphasizes the state-of-the-art research on O2(•-) so as to enable researchers to venture into future research. It comprises the main characteristics of O2(•-) followed by generation methods. The reaction types of O2(•-) are reviewed, and its potential applications including the destruction of hazardous chemicals, synthesis of organic compounds, and many other applications are highlighted. The O2(•-) environmental chemistry is also discussed. The detection methods of O2(•-) are categorized and elaborated. Special attention is given to the feasibility of using ionic liquids as media for O2(•-), addressing the latest progress of generation and applications. The effect of electrodes on the O2(•-) electrochemical generation is reviewed. Finally, some remarks and future perspectives are concluded.

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Section: Main Characteristics Of the Superoxide Ionmentioning

confidence: 99%

“…•− exhibits stretching vibrations at 1128 and 1160−1015 cm −1 when generated on CaO−Al 2 O 3 and MgO−CoO, respectively. 41 Although O 2…”

Section: •−mentioning

confidence: 99%

Superoxide Ion: Generation and Chemical Implications

Hayyan¹,

Hashim²,

AlNashef³

2016

Chem. Rev.

1,718

1,058

View full text Add to dashboard Cite

show abstract

Modulating the oxygen affinity of porphyrins with metals, ligands, and functional groups: A DFT study

Ovalle,

Malardier‐Jugroot

2024

J Comput Chem

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The interaction between different metals (M), axial ligands (L), and ring substituents (R) in porphyrins was investigated using density functional theory. Different combinations of iron and cobalt as metal centers; imidazole, chlorine, and an n‐heterocyclic carbene (NHC) as axial ligands, and unsubstituted, octaethyl‐, and tetraphenyl‐porphyrins were explored in their low, intermediate, and high‐spin states, alongside oxygen affinity. Remarkably, the n‐heterocyclic carbene enhanced the affinity of cobalt porphyrins to oxygen, with binding energies on average 4.4 kcal mol−1 higher than FeP with the same ligand, and 0.78 kcal mol−1 higher than FeP with imidazole. The planarity of the iron tetraphenyl porphyrin with imidazole compared to its ruffled cobalt counterpart is noteworthy in both oxy‐ and deoxy‐forms, highlighting imidazole's stabilizing influence on the porphyrin structure, particularly iron porphyrins, alongside imidazole's stabilizing effect on the affinity to O2. Despite the significant non‐planarity induced by NHC as an axial ligand ‐regardless of the metal or ring substituent used‐, it did not hinder the affinity of CoP to O2 (14.26 kcal mol−1, on average) as it did with the FeP with NHC (9.88 kcal mol−1, on average). Cobalt porphyrins with n‐heterocyclic carbene ligands show promising potential for O2 activation or oxygen transport applications. The results show the complex interactions between the different parts of metalloporphyrins and highlight the capability of tailoring their affinity to O2. It also exemplifies the stabilizing effect of imidazole on the porphyrins, providing a very narrow range of binding energies and smaller differences in their geometries.

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Molecular adsorption of Al3+-doped ZnO (002) crystal plane and its effect on electrical properties

Zhang

et al. 2022

J Mater Sci: Mater Electron

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Theoretical and Experimental Analysis of Oxygen Separation from Air over Ni-Transition Metal Complexes

Cited by 8 publications

References 75 publications

Superoxide Ion: Generation and Chemical Implications

Superoxide Ion: Generation and Chemical Implications

Modulating the oxygen affinity of porphyrins with metals, ligands, and functional groups: A DFT study

Molecular adsorption of Al3+-doped ZnO (002) crystal plane and its effect on electrical properties

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