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Chemical Conversion and Utilization of CO2
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Chemical Conversion and Utilization of CO2

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Organic Chemistry".

Deadline for manuscript submissions: closed (31 December 2025) | Viewed by 1627

Special Issue Editor

Prof. Dr. Gang Li

E-Mail Website
Guest Editor
Frontiers Science Center for Transformative Molecules, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai, China
Interests: C-H activation; CO2 utilization; C-H carboxylation with CO2; transition metals and photo catalysis

Special Issue Information

Dear Colleagues,

The chemical conversion and utilization of CO2 is a rapidly evolving field in chemistry that plays a critical role in addressing the global challenge of reducing greenhouse gas emissions. As atmospheric CO2 levels continue to rise, developing efficient methods to convert and utilize this abundant greenhouse gas has become a key focus for scientists worldwide. The chemical conversion of CO2 involves transforming it into valuable products such as fuels, chemicals, and materials, thereby providing a sustainable alternative to fossil-based resources. This process often requires the development of novel catalysts and innovative reaction pathways to overcome the inherent stability of CO2 and achieve high efficiency and selectivity in its conversion.

This Special Issue is dedicated to showcasing the latest research and developments in the fields of chemical conversion and CO2 utilization. We are particularly interested in original research articles and comprehensive reviews that explore novel approaches in these areas, including but not limited to organic syntheses, catalytic processes, materials design for CO2 capture and conversion, and sustainable chemical pathways for green synthesis. Contributions that provide new insights into the challenges and opportunities in CO2 utilization and green chemistry are highly encouraged, as they are crucial for advancing our collective efforts to address the pressing environmental challenges of our time.

We invite you to contribute your cutting-edge research to this Special Issue and join the global endeavor to create a sustainable and environmentally responsible future.

Prof. Dr. Gang Li
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • CO2 utilization for green synthesis
  • photocatalytic CO2 utilization
  • C-H carboxylation with CO2
  • green synthetic methodology development
  • functional materials design for CO2 utilization

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Published Papers (2 papers)

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Research

22 pages, 4948 KB  
Article
Synthesis of Hydroxyaromatic Carboxylic Acids via Homogeneous Kolbe-Schmitt Carboxylation of Phenoxides
by Dmitriy A. Merzliakov, Michael S. Alexeev, Maxim A. Topchiy, Dmitry G. Yakhvarov, Nikolai Yu. Kuznetsov, Anton L. Maximov and Irina P. Beletskaya
Molecules 2026, 31(2), 239; https://doi.org/10.3390/molecules31020239 - 10 Jan 2026
Viewed by 765
Abstract
Homogeneous Kolbe-Schmitt carboxylation of phenoxides offers a mild and effective alternative to the classical high-temperature solid-phase Kolbe-Schmitt reaction. To develop this into a practical synthetic approach, we investigated several fundamental dependencies, particularly the impact of cations (Na, K, Li, Cs, and Rb), phenoxide [...] Read more.
Homogeneous Kolbe-Schmitt carboxylation of phenoxides offers a mild and effective alternative to the classical high-temperature solid-phase Kolbe-Schmitt reaction. To develop this into a practical synthetic approach, we investigated several fundamental dependencies, particularly the impact of cations (Na, K, Li, Cs, and Rb), phenoxide concentration, and solvents (DMSO or DMF) on the yield and regioisomeric ratio of hydroxyaromatic carboxylic acids (HACAs). We identified optimal conditions for the effective carboxylation of different phenoxides, including a chiral Ellman’s sulfinamide derived from ortho-vanillin. Both solvents and cations were found to be crucial in the carboxylation of phenoxides. Due to solvation effects, DMSO directs CO2 attack to the para-position of phenoxide, while DMF, although less selective, generally affords higher HACA yields. The addition of equiv. amounts of mesitolate salt to phenoxide in either DMSO or DMF solution often drives the reaction to completion, resulting in yields of up to 98%. Phenoxides containing several EWG groups, such as halogens or alkyl groups, adjacent to the reaction center show considerably lower reactivity in carboxylation; however, by carefully adjusting parameters, acceptable conversions (>70%) can be achieved. Using the gasometry, we assessed the stability of phenoxide and mesitolate carbonate complexes in DMSO. These experiments revealed distinct stages for the onset of decomposition and carboxylation at atmospheric pressure, indicating a lower energy barrier in the homogeneous process. Further insight into carbonate complex behavior was obtained through DOSY and 13C NMR experiments, which support increased molecular association in solution and correlate with enhanced reactivity. Full article
(This article belongs to the Special Issue Chemical Conversion and Utilization of CO2)
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19 pages, 2372 KB  
Article
Effects of Radiation Reabsorption on the Flammability Limit and Critical Fuel Concentration of Methane Oxy-Fuel Diffusion Flame
by Shuochao Wang, Jingfu Wang, Ying Chen, Yi Li, Jiquan Chen, Shun Li and Zewei Yan
Molecules 2026, 31(1), 124; https://doi.org/10.3390/molecules31010124 - 29 Dec 2025
Viewed by 343
Abstract
This study numerically investigates the critical fuel concentration and flammable regions of methane–air and methane oxy-fuel counterflow diffusion flames. The goal is to determine the effects of strain rate, oxidizer composition, and radiative heat transfer models on flame extinction. Calculations were performed using [...] Read more.
This study numerically investigates the critical fuel concentration and flammable regions of methane–air and methane oxy-fuel counterflow diffusion flames. The goal is to determine the effects of strain rate, oxidizer composition, and radiative heat transfer models on flame extinction. Calculations were performed using the counterflow diffusion flame with the adiabatic (ADI), optically thin (OTM), and statistical narrow-band (SNB) radiation models at strain rates of 10 s−1, 80 s−1, and 200 s−1. The key findings are as follows: For methane–air flames, radiation reabsorption has a negligible impact. The flammable region decreases with increasing strain rate (SLow > SMid > SHigh) across all models. In O2/CO2 flames, radiation plays a significant role. While the ADI and SNB models maintain the same trend as in air flames, the OTM yields a different order (SMid > SHigh > SLow). Reducing oxygen concentration increases the critical fuel concentration and shrinks the flammable region. When the oxygen concentration is between 0.35 and 0.40, the combustion characteristics of O2/CO2 flames resemble those of conventional air flames. In conclusion, this work highlights the critical influence of radiation modeling and oxidizer composition on oxy-fuel flame extinction limits, providing insights for combustion system design under CO2 dilution. Full article
(This article belongs to the Special Issue Chemical Conversion and Utilization of CO2)
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