Polarity of Organic Solvent/Water Mixtures Measured with Reichardt’s B30 and Related Solvatochromic Probes – a Critical Review DOI Open Access
Stefan Spange

Опубликована: Ноя. 3, 2023

The UV/Vis absorption energies (νmax) of different solvatochromic probes measured in co-solvent/water mixtures are analysed as a function the average molar concentration (Nav) solvent composition. Nav is discussed terms underlying mass (mol or average) mixture. ET(30) Reichardt`s dye B30 focus analysis. Methanol, ethanol, 1,2-ethanediol, 2-propanol, 2-methyl-2-propanol, 2-butoxyethanol, formamide, N-methylformamide (NMF), dimethylformamide (DMF), N-formylmorpholine (NFM), 1,4-dioxane and DMSO were used co-solvents. Significant linear dependencies can be demonstrated for formamide/water, 1,2-ethanediol/water, NMF/water DMSO/water over whole composition range. These belong to group solvents that do not enhance water structure according Marcus classification. specifics 1,4-dioxane/water discussed. For alcohol/water with enhanced structure, influence microstructure on particularly evident.

Язык: Английский

From Plastic Waste to Green Hydrogen and Valuable Chemicals Using Sunlight and Water DOI Creative Commons
Thi Kim Anh Nguyen, Thành Trần‐Phú, Rahman Daiyan

и другие.

Angewandte Chemie International Edition, Год журнала: 2024, Номер 63(32)

Опубликована: Май 17, 2024

Abstract Over 79 % of 6.3 billion tonnes plastics produced from 1950 to 2015 have been disposed in landfills or found their way the oceans, where they will reside for up hundreds years before being decomposed bringing upon significant dangers our health and ecosystems. Plastic photoreforming offers an appealing alternative by using solar energy water transform plastic waste into value‐added chemical commodities, while simultaneously producing green hydrogen via evolution reaction. This review aims provide overview underlying principles emerging technologies, highlight challenges associated with experimental protocols performance assessments, discuss recent global breakthroughs on plastics, propose perspectives future research. A critical assessment current studies shows a lack standardised conditions, hindering comparison amongst photocatalyst performance. Guidelines establish more accurate evaluation materials systems are proposed, aim facilitate translation promising fundamental discovery photocatalysts design.

Язык: Английский

Процитировано

11

New QSPR molecular descriptors based on low-cost quantum chemistry computations using DFT/COSMO approach DOI
Vladimı́r Dohnal

Journal of Molecular Liquids, Год журнала: 2024, Номер 407, С. 125256 - 125256

Опубликована: Июнь 11, 2024

Язык: Английский

Процитировано

10

Polarity of Organic Solvent/Water Mixtures Measured with Reichardt’s B30 and Related Solvatochromic Probes—A Critical Review DOI Creative Commons
Stefan Spange

Liquids, Год журнала: 2024, Номер 4(1), С. 191 - 230

Опубликована: Фев. 17, 2024

The UV/Vis absorption energies (νmax) of different solvatochromic probes measured in co-solvent/water mixtures are re-analyzed as a function the average molar concentration (Nav) solvent composition compared to use mole fraction. empirical ET(30) parameter Reichardt’s dye B30 is focus analysis. Marcus classification aqueous useful guide for co-solvent selection. Methanol, ethanol, 1,2-ethanediol, 2-propanol, 2-methyl-2-propanol, 2-butoxyethanol, formamide, N-methylformamide (NMF), N,N-dimethylformamide (DMF), N-formylmorpholine (NFM), 1,4-dioxane and DMSO were considered co-solvents. values binary discussed relation physical properties terms quantitative composition, refractive index, thermodynamics mixture non-uniformity mixture. Significant linear dependencies Nav can be demonstrated formamide/water, 1,2-ethanediol/water, NMF/water DMSO/water over entire compositional range. These belong group solvents that do not enhance water structure according classification. influence microstructure on non-linearity particularly clear alcohol/water with an enhanced structure.

Язык: Английский

Процитировано

6

Structural insight into piezo-solvatochromism of Reichardt's dye DOI Creative Commons
Szymon Sobczak, Andrzej Katrusiak

IUCrJ, Год журнала: 2024, Номер 11(4), С. 528 - 537

Опубликована: Июнь 4, 2024

To date, accurate modelling of the solvation process is challenging, often over-simplifying solvent-solute interactions. The interplay between molecular arrangement associated with and crystal nucleation has been investigated by analysis piezo-solvatochromic behaviour Reichardt's dye, ET(1), in methanol, ethanol acetone under high pressure. High-pressure single-crystal X-ray diffraction UV-Vis spectroscopy reveal impact solute-solvent interactions on optical properties ET(1). study underscores intricate relationship solvent properties, conformation packing. connection liquid solid phases emphasizes capabilities high-pressure methods for expanding field engineering. environment allowed determination structures reported here that are built from organic molecules fourfold solvated or methanol: ET(1)·4CH

Язык: Английский

Процитировано

4

Solvent Replacement Strategies for Processing Pharmaceuticals and Bio-Related Compounds—A Review DOI Creative Commons
Jia Lin Lee, Gun Hean Chong, Masaki Ota

и другие.

Liquids, Год журнала: 2024, Номер 4(2), С. 352 - 381

Опубликована: Апрель 9, 2024

An overview of solvent replacement strategies shows that there is great progress in green chemistry for replacing hazardous di-polar aprotic solvents, such as N,N-dimethylformamide (DMF), 1-methyl-2-pyrrolidinone (NMP), and 1,4-dioxane (DI), used processing active industrial ingredients (APIs). In synthetic chemistry, alcohols, carbonates, ethers, eucalyptol, glycols, furans, ketones, cycloalkanones, lactones, pyrrolidinone or mixtures, 2-methyl tetrahydrofuran methanol, HCl cyclopentyl methyl ether, trifluoroacetic acid propylene carbonate surfactant water (no organic solvents) are suggested solvents. For the dichloromethane (DCM) chromatography, ethyl acetate ethanol 2-propanol heptanes, with without acetic ammonium hydroxide additives, suggested, along methanol tert-butyl cyclohexane, CO2-ethyl acetate, CO2-methanol, CO2-acetone, CO2-isopropanol. Supercritical CO2 (scCO2) can be to replace many solvents materials from natural sources. Vegetable, drupe, legume, seed oils co-extractants (mixed substrate before extraction) typical co-solvents (ethanol, acetone) scCO2 extraction. Mixed consisting a hydrogen bond donor (HBD) acceptor (HBA) not addressed GSK CHEM21 guides. Published data 100 water-soluble water-insoluble APIs mono-solvents show polarity ranges appropriate mixed When used, possible HBA candidate acetone, acid, acetonitrile, ethanol, tetrahydrofuran, 2,2,5,5-tetramethyloxolane, dimethylisosorbide, Cyrene, Cygnet 0.0, diformylxylose. alcohol candidates cyclopentanone, esters, lactone, eucalytol, MeSesamol, HBA—HBA Cyrene—Cygnet could provide interesting new combinations. Solubility parameters, Reichardt polarity, Kamlet—Taft linear solvation energy relationships practical ways identifying applicable API systems.

Язык: Английский

Процитировано

3

Studies About the Effect of Halogenated Solvents on the Fluorescence Properties of 9-Aryl-Substituted Isoquinolinium Derivatives – A Case Study DOI Creative Commons
Philipp Groß, Heiko Ihmels

Journal of Fluorescence, Год журнала: 2024, Номер unknown

Опубликована: Апрель 10, 2024

It was demonstrated that 9-aryl-substituted isoquinolinium derivatives have significantly increased fluorescence quantum yields in halogenated solvents, mostly pronounced chloroalkanes, which appears to be specific for this type of solvents. Further analysis with selected solvents revealed the and number halogen substituents dielectric constant solvent a distinct impact on emission yield. The effect is explained by solvation charge shift (CS) state attractive halogen-π interactions (halogen bond), impedes torsional relaxation excited state.

Язык: Английский

Процитировано

3

Machine learning aids solvothermal liquefaction of algal biomass: Prediction of nitrogen content and bio-oil yield DOI
Oraléou Sangué Djandja,

Yaqi Shan,

Liming Fan

и другие.

Fuel, Год журнала: 2023, Номер 353, С. 129284 - 129284

Опубликована: Июль 27, 2023

Язык: Английский

Процитировано

7

New intercorrelations among different polarity parameters and application DOI
Qing Shen, Xiao He

Materials Today Chemistry, Год журнала: 2024, Номер 36, С. 101969 - 101969

Опубликована: Фев. 27, 2024

Язык: Английский

Процитировано

2

From Plastic Waste to Green Hydrogen and Valuable Chemicals Using Sunlight and Water DOI Creative Commons
Thi Kim Anh Nguyen, Thành Trần‐Phú, Rahman Daiyan

и другие.

Angewandte Chemie, Год журнала: 2024, Номер 136(32)

Опубликована: Май 17, 2024

Abstract Over 79 % of 6.3 billion tonnes plastics produced from 1950 to 2015 have been disposed in landfills or found their way the oceans, where they will reside for up hundreds years before being decomposed bringing upon significant dangers our health and ecosystems. Plastic photoreforming offers an appealing alternative by using solar energy water transform plastic waste into value‐added chemical commodities, while simultaneously producing green hydrogen via evolution reaction. This review aims provide overview underlying principles emerging technologies, highlight challenges associated with experimental protocols performance assessments, discuss recent global breakthroughs on plastics, propose perspectives future research. A critical assessment current studies shows a lack standardised conditions, hindering comparison amongst photocatalyst performance. Guidelines establish more accurate evaluation materials systems are proposed, aim facilitate translation promising fundamental discovery photocatalysts design.

Язык: Английский

Процитировано

2

Inverting the Solvatochromism of Pyridinium-N-phenolate Dyes by the Addition of a Second Pyridinium Unit DOI
Fabián Melinao, Matías Vidal, Carolina Aliaga

и другие.

The Journal of Organic Chemistry, Год журнала: 2024, Номер 89(3), С. 1534 - 1542

Опубликована: Янв. 15, 2024

Three bipyridinium phenolates were synthesized, and their spectral behavior was recorded at various solvent polarities compared to a classic pyridinium phenolate dye possessing only one acceptor ring in its structure. The addition of second unit the solvatochromic core results an unexpected change from negative solvatochromism (displacement absorption band shorter wavelengths) inverted solvatochromism, characterized by transition positive longer moderate polarities.

Язык: Английский

Процитировано

2