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quantum chemical and experimental insight into structure, physicochemical properties and dissolving behavior of deep eutectic solvents

During the past decade, deep eutectic solvents (DESs), emerging as green, versatile and adjustable alternatives to traditional solvents, have attracted intensive interests and immense research in various research fields. Especially DESs show quite a remarkable potential dissolving capability, due to...

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Main Authors: Zhang, Yuling, Ren, Hongwei, Liu, Yize, Li, Meiyu, Rasheed, Adnan Hameed, Alias, Hajar, Duan, Erhong
Format: Article
Published: World Scientific 2022
Subjects:
TP Chemical technology
Online Access:http://eprints.utm.my/103045/
http://dx.doi.org/10.1142/S2737416522300048
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spelling my.utm.1030452023-10-12T09:08:27Z http://eprints.utm.my/103045/ quantum chemical and experimental insight into structure, physicochemical properties and dissolving behavior of deep eutectic solvents Zhang, Yuling Ren, Hongwei Liu, Yize Li, Meiyu Rasheed, Adnan Hameed Alias, Hajar Duan, Erhong TP Chemical technology During the past decade, deep eutectic solvents (DESs), emerging as green, versatile and adjustable alternatives to traditional solvents, have attracted intensive interests and immense research in various research fields. Especially DESs show quite a remarkable potential dissolving capability, due to their ability to donate as well as accept protons and electrons. A thorough and deep understanding of the microstructure, interactions and dissolving mechanism within DESs plays a key role in acquiring a task-specific DES. Quantum chemistry (QC) calculations provide structure-property-function relationship based on the molecular description and make up for the limitations of the current experimental techniques, showing promises for DESs screening and design. This paper summarizes the current research involving QC calculations and combined experiments, on investigating the structure, physicochemical properties and dissolving capability of DESs from the macroscopic and microcosmic perspective. This paper highlights and discusses the dissolving mechanism of various compounds in DESs, covering the recent successes in applying QC calculations to select the appropriate DESs as dissolving media. Furthermore, a brief analysis of perspectives and challenges for the future research in this field is presented. It is expected that this paper will inspire the future development of DESs from synthesis design to various designated applications. World Scientific 2022 Article PeerReviewed Zhang, Yuling and Ren, Hongwei and Liu, Yize and Li, Meiyu and Rasheed, Adnan Hameed and Alias, Hajar and Duan, Erhong (2022) quantum chemical and experimental insight into structure, physicochemical properties and dissolving behavior of deep eutectic solvents. Journal of Computational Biophysics and Chemistry, 21 (8). pp. 883-907. ISSN 2737-4165 http://dx.doi.org/10.1142/S2737416522300048 DOI: 10.1142/S2737416522300048
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
topic TP Chemical technology
spellingShingle TP Chemical technology
Zhang, Yuling
Ren, Hongwei
Liu, Yize
Li, Meiyu
Rasheed, Adnan Hameed
Alias, Hajar
Duan, Erhong
quantum chemical and experimental insight into structure, physicochemical properties and dissolving behavior of deep eutectic solvents
description During the past decade, deep eutectic solvents (DESs), emerging as green, versatile and adjustable alternatives to traditional solvents, have attracted intensive interests and immense research in various research fields. Especially DESs show quite a remarkable potential dissolving capability, due to their ability to donate as well as accept protons and electrons. A thorough and deep understanding of the microstructure, interactions and dissolving mechanism within DESs plays a key role in acquiring a task-specific DES. Quantum chemistry (QC) calculations provide structure-property-function relationship based on the molecular description and make up for the limitations of the current experimental techniques, showing promises for DESs screening and design. This paper summarizes the current research involving QC calculations and combined experiments, on investigating the structure, physicochemical properties and dissolving capability of DESs from the macroscopic and microcosmic perspective. This paper highlights and discusses the dissolving mechanism of various compounds in DESs, covering the recent successes in applying QC calculations to select the appropriate DESs as dissolving media. Furthermore, a brief analysis of perspectives and challenges for the future research in this field is presented. It is expected that this paper will inspire the future development of DESs from synthesis design to various designated applications.
format Article
author Zhang, Yuling
Ren, Hongwei
Liu, Yize
Li, Meiyu
Rasheed, Adnan Hameed
Alias, Hajar
Duan, Erhong
author_facet Zhang, Yuling
Ren, Hongwei
Liu, Yize
Li, Meiyu
Rasheed, Adnan Hameed
Alias, Hajar
Duan, Erhong
author_sort Zhang, Yuling
title quantum chemical and experimental insight into structure, physicochemical properties and dissolving behavior of deep eutectic solvents
title_short quantum chemical and experimental insight into structure, physicochemical properties and dissolving behavior of deep eutectic solvents
title_full quantum chemical and experimental insight into structure, physicochemical properties and dissolving behavior of deep eutectic solvents
title_fullStr quantum chemical and experimental insight into structure, physicochemical properties and dissolving behavior of deep eutectic solvents
title_full_unstemmed quantum chemical and experimental insight into structure, physicochemical properties and dissolving behavior of deep eutectic solvents
title_sort quantum chemical and experimental insight into structure, physicochemical properties and dissolving behavior of deep eutectic solvents
publisher World Scientific
publishDate 2022
url http://eprints.utm.my/103045/
http://dx.doi.org/10.1142/S2737416522300048
_version_ 1781777636689707008
score 13.211869

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