Special Issue "Deep Eutectic Solvents in Organic Synthesis"
Deadline for manuscript submissions: 30 April 2019
Deep Eutectic Solvents (DES) are an interesting family of solvents that have attracted attention as a less expensive and often less toxic alternative to room temperature ionic liquids. While many applications of DES have been explored, particularly their use in electroplating and metal recovery as well as natural product extraction, attention to their use as solvent replacements for conventional organic solvents in the area of synthesis has found less attention. This situation is unfortunate as earlier work demonstrated significant promise as DES are generally inexpensive and pose fewer hazards (low volatility and reduced risk of exposure), as well as some interesting opportunities for DES recycling and DES-based catalytic features that eliminate the need for other stoichiometric reagents. They could have particular benefit in many metal-catalyzed reactions as well as the reemerging area of electrosynthesis.
This Special Issue will provide an opportunity to publish research in the area of organic synthesis in DES, including catalyzed and solvent-catalyzed reactions, new and unusual reactions, and aspects related to recycling of the solvents and/or catalysts with the goal of promoting further research in this area.
Prof. Dr. Scott Handy
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 papers will be 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 100 words) can be sent to the Editorial Office for announcement on this website.
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 1800 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.
- Organic synthesis
- Green synthesis
- Transition metal catalysis
- Solvent recycling
The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.
Authors: Aniruddha Nandy and Jens Smiatek
Abstract: Deep eutectic solvents of lithium salts and urea: properties of ion replacement mechanisms
Mixtures of LiTFSI and urea show an extreme lowering of the melting temperature relative to the individual species and can therefore be regarded as a deep eutectic solvent or a deep eutectic electrolyte. Using atomistic molecular dynamics simulations and quantum mechanical calculations, we investigate the molecular interactions that allow the variation of the melting temperature. Our results for increasing urea concentrations implicate a displacement of TFSI ions around lithium ions by a growing number of urea molecules, which increases the mobility of the individual components. Our DFT calculations for the individual ion-urea clusters are in good agreement with the results of MD simulations, which deal mainly with charge dynamics and the underlying transport mechanisms.