Synthesis and Characterization of New Organoammonium, Thiazolium, and Pyridinium Triiodide Salts: Crystal Structures, Polymorphism, and Thermal Stability DOI Creative Commons
M. Bandara, Khadijatul Kobra, Spencer R. Watts

et al.

Crystals, Journal Year: 2024, Volume and Issue: 14(12), P. 1020 - 1020

Published: Nov. 25, 2024

Triiodide salts are of interest for a variety applications, including but not limited to electrochemical and photochemical devices, as antimicrobials disinfectants, in supramolecular chemistry crystal engineering, ionic liquids deep eutectic solvents. Our work has focused on the design salt–solvate cocrystals solvents which triiodide anion interacts halogen bond acceptor with organoiodine molecules. To understand structure–property relationships these hybrid materials, it is essential have benchmark structural physical data parent salt component. Herein, we report structure thermal properties eight new salts, three exhibit polymorphism: tetrapentylammonium (1a 1b), tetrahexylammonium (2), trimethylphenylammonium (3), trimethylbenzylammonium (4), triethylbenzylammonium (5), tri-n-butylbenzylammonium (6), 3-methylbenzothizolium (7a 7b), 2-chloro-1-methylpyridinium (8a 8b). The features anion, Raman spectroscopic analysis, melting decomposition behavior well computational analysis polymorphs, discussed. polymorphic pairs here distinguished by symmetric versus asymmetric anions, different packing patterns. Computational analyses revealed more subtle differences their isosurface plots. Importantly, this study provides reference comparison formed from combination various organoiodines.

Language: Английский

Dynamic Properties and Diverse Applications of Deep Eutectic Solvents DOI Creative Commons

Sanjeeta,

Ajay Singh,

Jyoti Kavirajwar

et al.

Journal of Ionic Liquids, Journal Year: 2025, Volume and Issue: 5(1), P. 100135 - 100135

Published: Jan. 29, 2025

Language: Английский

Citations

1
Eutectogels: The Multifaceted Soft Ionic Materials of Tomorrow DOI Creative Commons
Pablo A. Mercadal, Agustín González, Ana Beloqui

et al.

JACS Au, Journal Year: 2024, Volume and Issue: 4(10), P. 3744 - 3758

Published: Oct. 3, 2024

Eutectogels, a rising category of soft materials, have recently garnered significant attention owing to their remarkable potential in various domains. This innovative class materials consists eutectic solvent immobilized three-dimensional network structure. The use eco-friendly and cost-effective solvents further emphasizes the appeal these multiple applications. Eutectogels exhibit key characteristics most solvents, including environmental friendliness, facile preparation, low vapor pressure, good ionic conductivity. Moreover, they can be tailored display functionalities such as self-healing capability, adhesiveness, antibacterial properties, which are facilitated by incorporating specific combinations mixture constituents. perspective article delves into current landscape challenges associated with eutectogels, particularly focusing on applications CO

Language: Английский

Citations

7
Machine Learning for Predicting and Optimizing Physicochemical Properties of Deep Eutectic Solvents: Review and Perspectives DOI
Francisco Javier López-Flores, César Ramírez‐Márquez, J. Betzabe González‐Campos

et al.

Industrial & Engineering Chemistry Research, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 19, 2024

This review explores the application of machine learning in predicting and optimizing key physicochemical properties deep eutectic solvents, including CO2 solubility, density, electrical conductivity, heat capacity, melting temperature, surface tension, viscosity. By leveraging learning, researchers aim to enhance understanding customization a critical step expanding their use across various industrial research domains. The integration represents significant advancement tailoring solvents for specific applications, marking progress toward development greener more efficient processes. As continues unlock full potential it is expected play an increasingly pivotal role revolutionizing sustainable chemistry driving innovations environmental technology.

Language: Английский

Citations

4
Functional Deep Eutectic Solvents to Boost Antioxidant Synergism in Edible Fats DOI

Emmanuel D. Dike,

Lucas B. Ayres, Tomás E. Benavidez

et al.

ACS Sustainable Chemistry & Engineering, Journal Year: 2025, Volume and Issue: unknown

Published: March 10, 2025

Language: Английский

Citations

0
Efficient Machine-Learning-Based New Tools to Design Eutectic Mixtures and Predict Their Viscosity DOI

Stella Christodoulou,

Camille Cousseau,

Emmanuelle Limanton

et al.

ACS Sustainable Chemistry & Engineering, Journal Year: 2024, Volume and Issue: 12(52), P. 18537 - 18554

Published: Dec. 17, 2024

The development of models that accurately predict the formation eutectic mixtures (EMs, including well-known deep solvents) and their viscosity is imperative to save time in synthesizing new solvents. We developed reliable machine-learning-based classifiers able discern between noneutectic (non-EM) regressors an EM. A experimental data set 219 EMs, 384 non-EMs, 1450 points at different temperatures water contents provided used challenge several models, defined both by algorithm descriptors. top-performing EM/non-EM classifier yields accuracy 92%, best regressor achieves predictions with a mean absolute error 2.2 mPa·s; extrapolation capabilities latter were assessed on additional measurements outside range training set, revealing good low viscosities. SHapley Additive exPlanations (SHAP) was employed as eXplainable Artificial Intelligence (XAI) technique quantify input feature contributions model output. These results represent significant step forward developing robust highly accurate for determining viscosity.

Language: Английский

Citations

2
Synthesis and Characterization of New Organoammonium, Thiazolium, and Pyridinium Triiodide Salts: Crystal Structures, Polymorphism, and Thermal Stability DOI Creative Commons
M. Bandara, Khadijatul Kobra, Spencer R. Watts

et al.

Crystals, Journal Year: 2024, Volume and Issue: 14(12), P. 1020 - 1020

Published: Nov. 25, 2024

Triiodide salts are of interest for a variety applications, including but not limited to electrochemical and photochemical devices, as antimicrobials disinfectants, in supramolecular chemistry crystal engineering, ionic liquids deep eutectic solvents. Our work has focused on the design salt–solvate cocrystals solvents which triiodide anion interacts halogen bond acceptor with organoiodine molecules. To understand structure–property relationships these hybrid materials, it is essential have benchmark structural physical data parent salt component. Herein, we report structure thermal properties eight new salts, three exhibit polymorphism: tetrapentylammonium (1a 1b), tetrahexylammonium (2), trimethylphenylammonium (3), trimethylbenzylammonium (4), triethylbenzylammonium (5), tri-n-butylbenzylammonium (6), 3-methylbenzothizolium (7a 7b), 2-chloro-1-methylpyridinium (8a 8b). The features anion, Raman spectroscopic analysis, melting decomposition behavior well computational analysis polymorphs, discussed. polymorphic pairs here distinguished by symmetric versus asymmetric anions, different packing patterns. Computational analyses revealed more subtle differences their isosurface plots. Importantly, this study provides reference comparison formed from combination various organoiodines.

Language: Английский

Citations

0