| 1. |
- Lovell, T., et al.
(författare)
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Density functional methods applied to metalloenzymes
- 2003
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Ingår i: Coordination chemistry reviews. - 0010-8545 .- 1873-3840. ; 238, s. 211-232
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Forskningsöversikt (refereegranskat)abstract
- Density functional calculations for structures, spin states, redox energetics and reaction pathways are presented for some selected metalloenzymes. The specific enzymes examined are: (1) Fe and Mn superoxide dismutase for redox energetics and the role of second shell residues; (2) galactose oxidase (Cu enzyme) and (3) glyoxalase I (Zn enzyme) for reaction pathways, mechanisms, intermediates, and transition states (reaction barriers); (4) iron-oxo dimer enzymes methane monooxygenase and ribonucleotide reductase for characterizing the oxidized and reduced forms in terms of structures and protonation states, and for a proposed structure for the high-valent intermediate Q in MMO. The interaction of the active site with the surrounding protein environment is also explored in a number of cases either by using expanded quantum mechanically treated clusters, or by using electrostatic/ dielectric representations of the protein-solvent environment.
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| 2. |
- Abdelhamid, Hani Nasser, et al.
(författare)
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Cellulose-metal organic frameworks (CelloMOFs) hybrid materials and their multifaceted Applications : A review
- 2022
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Ingår i: Coordination chemistry reviews. - : Elsevier BV. - 0010-8545 .- 1873-3840. ; 451
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Forskningsöversikt (refereegranskat)abstract
- Cellulose-MOFs (CelloMOFs) are attractive hybrid materials that make available a range of hitherto unattainable properties by conjugating cellulosic materials with metal-organic frameworks (MOFs). CelloMOFs have demonstrated a great potential to be applied in several fields such as water remediation, air purification, gas storage, sensing/biosensing, and biomedicine. CelloMOFs can act as an efficient adsorbent to remove emerging contaminants such as metals, dyes, drugs, antibiotics, pesticides, and oils in water via adsorption. They can be also used as catalysts for catalytic degradation, reduction, and oxidation of organic pollutants. They have been applied as filters for air purification via removing greenhouse gases such as carbon dioxide (CO2), volatile organic compounds (VOCs), and particulate matter (PMs). Biomedical applications such as antibacterial, drug delivery, biosensing were also reported for CelloMOFs materials. This review summarized the synthesis, characterization, and applications of cellulose-MOFs materials. It covered a broad overview of the status of the combination of cellulose in micron to nanoscale with MOFs. At the end of the review, the challenges and outlook regarding CelloMOFs were discussed. Hopefully, this review will be a useful guide for researchers and scientists who are looking for quick access to relevant references about CelloMOFs hybrid materials and their applications.
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| 3. |
- Amaro-Gahete, Juan, et al.
(författare)
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Catalytic systems mimicking the [FeFe]-hydrogenase active site for visible-light-driven hydrogen production
- 2021
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Ingår i: Coordination chemistry reviews. - : Elsevier. - 0010-8545 .- 1873-3840. ; 448
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Forskningsöversikt (refereegranskat)abstract
- A global hydrogen economy could ensure environmentally sustainable, safe and cost-efficient renewable energy for the 21st century. Solar hydrogen production through artificial photosynthesis is a key strategy, and the activity of natural hydrogenase metalloenzymes an inspiration for the design of synthetic catalyst systems. [FeFe]-hydrogenase enzymes, present in anaerobic bacteria and green algae, are the most efficient class of biological catalysts for hydrogen evolution. The enzymes operate in an aqueous environment, utilizing electrons that ultimately stem from photosynthesis as the only energy source. Functional synthetic models of the [FeFe]-hydrogenase enzyme active site have garnered intense interest as potential catalysts for the reduction of protons to molecular hydrogen. Herein, we take an extensive journey through the field of biomimetic hydrogenase chemistry for lightdriven hydrogen production. We open with a brief presentation of the structure and redox mechanism of the natural enzyme. Synthetic methodologies, structural characteristics, and hydrogen generation metrics relevant to the synthetic diiron catalysts ([2Fe2S]) are discussed. We first examine multicomponent photocatalysis systems with the [2Fe2S] cluster, followed by photosensitizer-[2Fe2S] dyads and molecular triads. Finally, strategies for the incorporation of [2Fe2S] complexes into supramolecular assemblies, semiconductor supports, and hybrid heterogeneous platforms are laid out. We analyze the individual properties, scope, and limitations of the components present in the photocatalytic reactions. This review illuminates the most useful aspects to rationally design a wide variety of biomimetic catalysts inspired by the diiron subsite of [FeFe]-hydrogenases, and establishes design features shared by the most stable and efficient hydrogen producing photosystems. (C) 2021 The Author(s). Published by Elsevier B.V.
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| 4. |
- Belda, O., et al.
(författare)
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Bispyridylamides - coordination chemistry and applications in catalytic reactions
- 2005
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Ingår i: Coordination chemistry reviews. - : Elsevier BV. - 0010-8545 .- 1873-3840. ; 249:06-maj, s. 727-740
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Forskningsöversikt (refereegranskat)abstract
- Complexes of bis(2-pyridylamides) with most metal ions have been described. A variety of coordination modes, with the neutral or the deprotonated amide functions binding either via the carbonyl oxygen atom or the amide nitrogen atom have been identified. The modular technique used for the preparation of the compounds permits facile access to ligands with substituted pyridine nuclei and ligands with different backbones. Moreover, symmetric as well as asymmetric compounds, with equal or different pyridine rings and with symmetric or non-symmetric amines, can conveniently be prepared. Chiral derivatives are easily obtained starting from chiral diamines. Several metal complexes have been studied as mimics of biological systems. In recent years a variety of metal complexes have also been employed in catalysis. Oxidations of alkanes and alkenes have been particularly well studied, although modest reactivity has usually been encountered. Other applications include their use as ligands in Lewis acid catalyzed processes. Recently, it was shown that complexes with molybdenum catalyze highly regio- and enantioselective allylic alkylations.
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| 5. |
- Chandrasekaran, Sundaram, et al.
(författare)
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Advanced opportunities and insights on the influence of nitrogen incorporation on the physico-/electro-chemical properties of robust electrocatalysts for electrocatalytic energy conversion
- 2021
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Ingår i: Coordination chemistry reviews. - : Elsevier. - 0010-8545 .- 1873-3840. ; 449
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Forskningsöversikt (refereegranskat)abstract
- The use of a wide range of methods for incorporating nitrogen atoms on robust catalysts has given rise to fundamental advances in the field of energy conversion and storage. Recently, nitrogen incorporation has proven to be able to fine-tune the electron densities of exposed active sites to create high-performance electrocatalysts. The preservation of a strong interface between the local atomic coordination of nitrogen atoms on bare carbon, single metal atoms, transition metal oxides, metal chalcogenides, and MXenes during synthesis plays an important role in producing an efficient electrocatalysts. In addition, the ability of nitrogen atoms to bind with carbon or metal atoms can be influenced by processing conditions. In this regard, this review is the first comprehensive overview of the range of synthetic strategies to form nitrogen incorporated catalysts and assess their chemical, structural, physical electronic property modification and their influence on electrocatalytic ORR, OER, and HER performance. This review will describe how specific strategies have been utilized to realise effective electrocatalytic systems, including the energy conversion of nitrogen incorporated catalysts, structural coordination, and material optimization. Finally, the main challenges to be considered in future investigations in order to initiate new research efforts in this promising research area are discussed.
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| 6. |
- Church, Tamara L., et al.
(författare)
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Iridium catalysts for the asymmetric hydrogenation of olefins with nontraditional functional substituents
- 2008
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Ingår i: Coordination chemistry reviews. - : Elsevier BV. - 0010-8545 .- 1873-3840. ; 252:5-7, s. 513-531
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Forskningsöversikt (refereegranskat)abstract
- Chiral iridium catalysts have now been used in the asymmetric hydrogenation of largely unfunctionallized olefins for a decade. Recently, they have also been applied to substrates with more exotic functional groups, including non-coordinating ones. These, unlike coordinating substituents, cannot direct asymmetric hydrogenation by rhodium- or ruthenium-based catalysts. This review discusses several classes of these less familiar substrates, outlines the progress that has been made toward their stereoselective hydrogenation, and highlights the role of iridium complexes in this emerging field. We hope this will inspire researchers to consider iridium-catalyzed asymmetric hydrogenation as a potential route to a broad range of chiral compounds.
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| 7. |
- Daniel, Quentin, et al.
(författare)
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Rearranging from 6-to 7-coordination initiates the catalytic activity : An EPR study on a Ru-bda water oxidation catalyst
- 2017
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Ingår i: Coordination chemistry reviews. - : Elsevier. - 0010-8545 .- 1873-3840. ; 346, s. 206-215
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Tidskriftsartikel (refereegranskat)abstract
- The coordination of a substrate water molecule on a metal centered catalyst for water oxidation is a crucial step involving the reorganization of the ligand sphere. This process can occur by substituting a coordinated ligand with a water molecule or via a direct coordination of water onto an open site. In 2009, we reported an efficient ruthenium-based molecular catalyst, Ru-bda, for water oxidation. Despite the impressive improvement in catalytic activity of this type of catalyst over the past years, a lack of understanding of the water coordination still remains. Herein, we report our EPR and DFT studies on Ru-bda (triethylammonium 3-pyridine sulfonate)(2) (1) at its Ru-III oxidation state, which is the initial state in the catalytic cycle for the O-O bond formation. Our investigation suggests that at this III-state, there is already a rearrangement in the ligand sphere where the coordination of a water molecule at the 7th position (open site) takes place under acidic conditions (pH = 1.0) to form a rare 7-coordinated Ru-III species.
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| 8. |
- Gorlov, Mikhail, et al.
(författare)
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Arene complexes of gallium : An effective tool for the synthesis of transition metal clusters and complexes
- 2008
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Ingår i: Coordination chemistry reviews. - : Elsevier BV. - 0010-8545 .- 1873-3840. ; 252:15-17, s. 1564-1576
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Tidskriftsartikel (refereegranskat)abstract
- In this review, the interactions between gallium(III) halides or gallium(I) subvalent halides and aromatic hydrocarbons in solution and solid state are discussed. Such unique properties of gallium halides-arene mixtures as the ability to reduce metallic centers and accept halide atoms make them very efficient tool for the preparation of low-valent clusters and complexes of transition metals. Diverse mono- and polynuclear arene complexes of d- and f-elements, including coordination polymers, may be achieved by the reactions between transition metal halides and gallium(III) halides in arene media. The role of Lewis acidity of gallium halides, the nature of the substituents on the arene ring and the nature of transition metals are discussed in terms of coordination mode of arenes and resulting structure of the transition metal-arene complexes.
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| 9. |
- Hagfeldt, A., et al.
(författare)
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A system approach to molecular solar cells
- 2004
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Ingår i: Coordination chemistry reviews. - : Elsevier BV. - 0010-8545 .- 1873-3840. ; 248:13-14, s. 1501-1509
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Forskningsöversikt (refereegranskat)abstract
- This paper gives an overview of the research and development of dye-sensitized solar cells (DSC) within the Swedish research program 'Angstrom Solar Center'. A path towards low production cost is the development of a continuous process, which allows the production of solar cells in large volumes and with a high productivity. We have developed a deposition method for the production of the mesoporous TiO2, electrode layer that is based on compression of a powder film at room temperature. This technique allows us to use flexible substrates-a prerequisite fora continuous process. A novel interconnect technology, compatible with a continuous production process, is described. Stability data of plastic DSC, exposed to indoor light for more than 10,000 h, demonstrates the possibility for the technology to be explored for various types of indoor applications. Optimization of the DSC is a challenging task as it is a complex highly interacting molecular system. A system approach is proposed, where the complete DSC is investigated with a series of measurement techniques ('toolbox') that allows the study of the internal processes under relevant conditions. Two examples of such techniques are given.
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| 10. |
- Hammarström, Leif, et al.
(författare)
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Expanded bite angles in tridentate ligands : improving the photophysical properties in bistridentate Ru-II polypyridine complexes
- 2010
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Ingår i: Coordination chemistry reviews. - : Elsevier BV. - 0010-8545 .- 1873-3840. ; 254:21-22, s. 2546-2559
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Tidskriftsartikel (refereegranskat)abstract
- Bistridentate metal complexes as photosensitizers are ideal building blocks in the construction of rodlike isomer-free assemblies for intramolecular photoinduced charge separation. Approaches to obtain long-lived luminescent metal-to-ligand charge transfer excited states in bistridentate Run polypyridine complexes via the manipulation of metal-centered state energies are discussed. Following an introduction to general strategies to prolong the excited state lifetimes, more recent work is explored in detail where tridentate ligands with expanded 2,2':6',2 ''-terpyridine cores are utilized. The synthesis of these tridentate ligands and their corresponding Ru-II complexes is covered. Bistridentate Run complexes with microsecond metal-to-ligand charge transfer excited state lifetimes are described, and are used in electron donor-photosensitizer-electron acceptor assemblies for efficient vectorial photoinduced charge separation.
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