Energetics of substituent effects on the benzene ring: CH3O with F, Cl, Br, and I

Nagrimanov, Ruslan N.; Ibragimova, Aliya R.; Italmasov, Almaz R.; Kornilov, Dmitry A.; Зиганшин, Марат А.; Solomonov, Boris N.; Verevkin, Sergey P.

doi:10.1007/s10973-022-11673-1

Cited by 2 publications

(1 citation statement)

References 58 publications

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“…This study extends our previous work on the thermochemistry of substituted benzenes 20,21 by measurements on alkyl esters of benzoic acid (or alkyl benzoates) (see Figure 1).…”

Section: Introductionsupporting

confidence: 85%

Renewable Platform Chemicals: Evaluation of Experimental Data for Alkyl Benzoates with Complementary Measurements, Structure–Property Correlations, and Quantum Chemical Calculations

Verevkin,

Elbakari,

Vostrikov

et al. 2023

J. Chem. Eng. Data

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Alkyl benzoates (or esters of benzoic acid) are important preservatives in the food and beverage industry. The development of new and effective synthesis pathways from renewable sources opens a window of opportunity for their large-scale production. Consequently, new areas of application for alkyl benzoates, e.g., conversion to platform chemicals or hydrogen storage, can be considered. The production and conversion of alkyl benzoates usually involve several steps, so controlling selectivity and yield is a challenge for these new pathways. Success depends on fine-tuning the distribution between thermodynamic and kinetic products. The latter is possible if reliable thermochemical and thermophysical data on the reactants are available. The thermochemical properties of a homological series of alkyl benzoates, including vapor pressures, enthalpies of vaporization, enthalpies of solution, and enthalpies of formation, were the focus of this study. The data sets for each thermodynamic property were evaluated using structure−property correlations and quantum chemical calculations and recommended for thermochemical calculations. The energetics of chemical reactions based on alkyl benzoates relevant to hydrogen storage were calculated and compared to the reaction enthalpies of common liquid organic hydrogen carriers.

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“…This study extends our previous work on the thermochemistry of substituted benzenes 20,21 by measurements on alkyl esters of benzoic acid (or alkyl benzoates) (see Figure 1).…”

Section: Introductionsupporting

confidence: 85%

Renewable Platform Chemicals: Evaluation of Experimental Data for Alkyl Benzoates with Complementary Measurements, Structure–Property Correlations, and Quantum Chemical Calculations

Verevkin,

Elbakari,

Vostrikov

et al. 2023

J. Chem. Eng. Data

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Improving the Properties of Polysaccharide-Based Films by Incorporation of Polyphenols Through Free Radical Grafting: A Review

Ozuna-Valencia,

Rodríguez-Félix,

Márquez-Ríos

et al. 2024

Polysaccharides

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The increasing demand for sustainable materials has propelled research into polysaccharide modifications for various applications, particularly in active packaging. This review aims to explore the incorporation of bioactive compounds such as polyphenols into polysaccharides, focusing on chemical modification through free radical grafting techniques. The methods examined include enzymatic, physical, and chemical grafting techniques, highlighting their effectiveness in enhancing the properties of polysaccharide-based films. Recent studies have demonstrated that free radical grafting can significantly improve the mechanical, barrier, and antimicrobial properties of these films, extending their applicability in the food and pharmaceutical industries. However, challenges such as the stability of polyphenols and the understanding of grafting mechanisms remain critical areas for further investigation. This review discusses these advancements and outlines future research directions, emphasizing the potential of polysaccharide modifications to create innovative materials that meet the evolving needs of consumers and industries alike.

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Energetics of substituent effects on the benzene ring: CH3O with F, Cl, Br, and I

Cited by 2 publications

References 58 publications

Renewable Platform Chemicals: Evaluation of Experimental Data for Alkyl Benzoates with Complementary Measurements, Structure–Property Correlations, and Quantum Chemical Calculations

Renewable Platform Chemicals: Evaluation of Experimental Data for Alkyl Benzoates with Complementary Measurements, Structure–Property Correlations, and Quantum Chemical Calculations

Improving the Properties of Polysaccharide-Based Films by Incorporation of Polyphenols Through Free Radical Grafting: A Review

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