CO2 capture and a route to transform it in formic acid: a theoretical approach

Ríos, Citlalli; Salcedo, Roberto

doi:10.1007/s00894-022-05175-y

Cited by 3 publications

(4 citation statements)

References 41 publications

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“…The authors conceived three different COF reactors, an anthracene reactor, a triangulene-4,8-dione reactor, and a benzo[c,d]cyclopenta[a]pyrene reactor, named after the different substituents used in their design. Two factors were found to be important in reactor design, namely keeping the coronene walls at a proper distance and maintaining a constant electronic flux going from the substituent to the reactor walls . While this study was purely theoretical, it showed great possibilities for future research in HCOOH production from CO 2 .…”

Section: Thermochemical Reactionsmentioning

confidence: 94%

“…Two factors were found to be important in reactor design, namely keeping the coronene walls at a proper distance and maintaining a constant electronic flux going from the substituent to the reactor walls. 182 While this study was purely theoretical, it showed great possibilities for future research in HCOOH production from CO 2 .…”

Section: Ethanol Synthesismentioning

confidence: 95%

“…181 Rios and Salcedo explored the innovative use of covalent organic frameworks (COFs) as catalysts for CO 2 hydrogenation to formic acid. 182 COFs are molecules with complex structures, which are distinguished from MOFs by the fact that they are made up solely of organic atoms covalently linked together, and therefore devoid of metallic nodes. COFs act as reactors on a molecular scale, as they trap CO 2 within their structure to convert it to formic acid.…”

Section: Ethanol Synthesismentioning

confidence: 99%

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New Insights on Catalytic Valorization of Carbon Dioxide by Conventional and Intensified Processes

Olivier

Desgagnés

Mercier

et al. 2023

Ind. Eng. Chem. Res.

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Carbon capture is an emerging technology that is often mentioned as a potential solution to the global warming crisis. However, most of the captured carbon is now treated as waste, discarded, and not used in any meaningful way. On the other hand, from a sustainable development point of view, CO 2 valorization could be a very appealing approach that offers an economic potential when this compound is recycled into valuable chemical products. In this regard, this state-of-the-art review encompasses a wide range of different processes to achieve the conversion of CO 2 into a large variety of products. It does not focus solely on a specific reaction or method, but rather brings different aspects together to provide a far more complete portrait of this emerging subject. Several methods and approaches are discussed, namely thermochemical, electrochemical, photochemical, photoelectrochemical, biochemical, and plasma-assisted conversion. The current state of CO 2 valorization, as well as emerging alternatives and stimulating prospects, was examined, while bearing in mind the realities that limit the application of such technologies. Special emphasis was placed on the optimization of reaction conditions and the development of materials that ensure the best possible production of valuable and environmentally friendly compounds from CO 2 . This review also highlights the challenges related to the application of CO 2 valorization at an industrial scale, which are also important in directing further research in this domain and assessing the prospects of these technologies. Due to the growing number of published papers on the subject, and the limited number of papers offering such a large perspective, we thus believe that this review will be a valuable addition to guide all researchers involved in the field of CO 2 valorization, but also for industrial and political leaders interested in investing in and developing these promising new technologies.

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Section: Thermochemical Reactionsmentioning

confidence: 94%

Section: Ethanol Synthesismentioning

confidence: 95%

Section: Ethanol Synthesismentioning

confidence: 99%

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New Insights on Catalytic Valorization of Carbon Dioxide by Conventional and Intensified Processes

Olivier

Desgagnés

Mercier

et al. 2023

Ind. Eng. Chem. Res.

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“…Here, we aim to evaluate the possibility of using a trimetallic sandwich complex (Figure 1) as a catalyst for the CO 2 hydrogenation reaction; this proposition forms part of a project which has been verified and already yielded results [20]. The source of electrons, in that instance, was the inner aromatic cavity of a Covalent Organic Framework (COF) based on the well-known coronene molecule.…”

Section: Introductionmentioning

confidence: 99%

Capture and Reaction of CO2 and H2 Catalyzed by a Complex of Coronene: A Computational Study

Guillén,

Fomina,

Salcedo

2023

Physchem

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An organometallic complex of coronene (Cor) and chromium (Cr) was designed and used as a catalyst in a simulated process in which a CO2 molecule is captured, activated, and then reacts with a hydrogen molecule (H2) to yield formic acid (HCOOH). The structural characteristics and local aromaticity are due to the similarity in the binding scheme with the bis(benzene)chromium (Cr-Bz2). Such a molecular fragment, referred to here as a “Clar’s site”, involves a single chromium atom that binds to CO2 by transferring electron density through backdonation. Therefore, the capture of CO2 outside the Cr3-Cor2 complex allows for the carrying out of a hydrogenation process that involves the breaking of one of the C−O bonds, the double addition of hydrogen, the formation of HCOOH and its release, regenerating the structure of the Cr3-Cor2 complex. The thermodynamic and kinetic results of this reaction are analyzed, as well as the nature of the orbitals and the relevant interactions of this process. This work explores a new concept for the creation of single atom catalysts (SACs), taking advantage of the high electron density around the metallic center and the sandwich architecture, having shown that it can perform the catalytic reduction of CO2.

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Capture and Reaction of CO2 and H2 Catalyzed by a Complex of Coronene: A Computational Study.

Guillén

Fomina

Salcedo

2023

Preprint

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CO2 capture and a route to transform it in formic acid: a theoretical approach

Cited by 3 publications

References 41 publications

New Insights on Catalytic Valorization of Carbon Dioxide by Conventional and Intensified Processes

New Insights on Catalytic Valorization of Carbon Dioxide by Conventional and Intensified Processes

Capture and Reaction of CO2 and H2 Catalyzed by a Complex of Coronene: A Computational Study

Capture and Reaction of CO2 and H2 Catalyzed by a Complex of Coronene: A Computational Study.

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