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Chemistry
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2021 Profile Papers by Chemistry' Editorial Board Members
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Special Issue "2021 Profile Papers by Chemistry' Editorial Board Members"

A special issue of Chemistry (ISSN 2624-8549).

Deadline for manuscript submissions: 31 December 2021.

Special Issue Editors

Prof. Dr. Edwin Charles Constable
E-Mail Website
Guest Editor
Department of Chemistry, University of Basel, Building 1096, Mattenstrasse 24a, CH-4058 Basel, Switzerland
Interests: light harvesting using inorganic coordination complexes as dyes in dye-sensitized solar cells (DSCs); development of emissive complexes for application in light-emitting electrochemical cells (LECs); water splitting and water oxidation catalysts;functional coordination polymers and networks
Special Issues and Collections in MDPI journals
Dr. Tomas Ramirez Reina
E-Mail Website1 Website2
SciProfiles
Guest Editor
Department of Chemical and Process Engineering, University of Surrey, Guildford GU2 7XH, UK
Interests: heterogeneous catalysis; reaction engineering; low-carbon energy; biomass upgrading; CO2 conversion
Special Issues and Collections in MDPI journals
Prof. Dr. Peter J. Rutledge
E-Mail Website
SciProfiles
Guest Editor
School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
Interests: antibiotics chemistry; biosynthesis; chemosensors and molecular probes; biocatalysis and bioinspired catalysis; hydrocarbon oxidation and C-H activation
Special Issues and Collections in MDPI journals
Prof. Dr. Luis R. Domingo
E-Mail Website
SciProfiles
Guest Editor
Department of Organic Chemistry, University of Valencia, Dr. Moliner 50, Burjassot, 46100 Valencia, Spain
Interests: Molecular Electron Density Theory (MEDT); theoretical organic chemistry; chemical concepts; structure and reactivity; molecular mechanisms and selectivities; quantum-chemical topology
Special Issues and Collections in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue is dedicated to recent advances in all areas of chemistry and comprises a selection of exclusive papers of the Editorial Board Members (EBMs) of Chemistry. Both original research articles and comprehensive review papers are welcome. The papers will be published free of charge, with full open access after peer review.

Prof. Dr. Edwin Charles Constable
Dr. Tomas Ramirez Reina
Prof. Dr. Peter J. Rutledge
Prof. Dr. Luis R. Domingo
Guest Editors

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. Chemistry is an international peer-reviewed open access quarterly 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 1200 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.

Related Special Issue

Published Papers (3 papers)

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Research

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Article
Unveiling the Intramolecular Ionic Diels–Alder Reactions within Molecular Electron Density Theory
by
Luis R. Domingo
,
Mar Ríos-Gutiérrez
and
María José Aurell
Chemistry 2021, 3(3), 834-853; https://doi.org/10.3390/chemistry3030061 - 03 Aug 2021
Viewed by 329
Abstract
The intramolecular ionic Diels–Alder (IIDA) reactions of two dieniminiums were studied within the Molecular Electron Density Theory (MEDT) at the ωB97XD/6-311G(d,p) computational level. Topological analysis of the electron localization function (ELF) of dieniminiums showed that their electronic structures can been seen as the [...] Read more.
The intramolecular ionic Diels–Alder (IIDA) reactions of two dieniminiums were studied within the Molecular Electron Density Theory (MEDT) at the ωB97XD/6-311G(d,p) computational level. Topological analysis of the electron localization function (ELF) of dieniminiums showed that their electronic structures can been seen as the sum of those of butadiene and ethaniminium. The superelectrophilic character of dieniminiums accounts for the high intramolecular global electron density transfer taking place from the diene framework to the iminium one at the transition state structures (TSs) of these IIDA reactions, which are classified as the forward electro density flux. The activation enthalpy associated with the IIDA reaction of the experimental dieniminium, 8.7 kcal·mol−1, was closer to that of the ionic Diels–Alder (I-DA) reaction between butadiene and ethaniminium, 9.3 kcal·mol−1. However, the activation Gibbs free energy of the IIDA reaction was 12.7 kcal·mol−1 lower than that of the intermolecular I-DA reaction. The strong exergonic character of the IIDA reaction, higher than 20.5 kcal·mol−1, makes the reaction irreversible. These IIDA reactions present a total re/exo and si/endo diastereo selectivity, which is controlled by the most favorable chair conformation of the tetramethylene chain. ELF topological analysis of the single bond formation indicated that these IIDA reactions take place through a non-concerted two-stage one-step mechanism. Finally, ELF and atoms-in-molecules (AIM) topological analyses of the TS associated with the inter and intramolecular processes showed the great similarity between them. Full article
(This article belongs to the Special Issue 2021 Profile Papers by Chemistry' Editorial Board Members)
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Article
Investigation into the Re-Arrangement of Copper Foams Pre- and Post-CO2 Electrocatalysis
by
Jennifer A. Rudd
,
Sandra Hernandez-Aldave
,
Ewa Kazimierska
,
Louise B. Hamdy
,
Odin J. E. Bain
,
Andrew R. Barron
and
Enrico Andreoli
Chemistry 2021, 3(3), 687-703; https://doi.org/10.3390/chemistry3030048 - 28 Jun 2021
Viewed by 739
Abstract
The utilization of carbon dioxide is a major incentive for the growing field of carbon capture. Carbon dioxide could be an abundant building block to generate higher-value chemical products. Herein, we fabricated a porous copper electrode capable of catalyzing the reduction of carbon [...] Read more.
The utilization of carbon dioxide is a major incentive for the growing field of carbon capture. Carbon dioxide could be an abundant building block to generate higher-value chemical products. Herein, we fabricated a porous copper electrode capable of catalyzing the reduction of carbon dioxide into higher-value products, such as ethylene, ethanol and propanol. We investigated the formation of the foams under different conditions, not only analyzing their morphological and crystal structure, but also documenting their performance as a catalyst. In particular, we studied the response of the foams to CO2 electrolysis, including the effect of urea as a potential additive to enhance CO2 catalysis. Before electrolysis, the pristine and urea-modified foam copper electrodes consisted of a mixture of cuboctahedra and dendrites. After 35 min of electrolysis, the cuboctahedra and dendrites underwent structural rearrangement affecting catalysis performance. We found that alterations in the morphology, crystallinity and surface composition of the catalyst were conducive to the deactivation of the copper foams. Full article
(This article belongs to the Special Issue 2021 Profile Papers by Chemistry' Editorial Board Members)
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Review

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Review
Catalytic Converters for Vehicle Exhaust: Fundamental Aspects and Technology Overview for Newcomers to the Field
by
Emmy Kritsanaviparkporn
,
Francisco M. Baena-Moreno
and
T. R. Reina
Chemistry 2021, 3(2), 630-646; https://doi.org/10.3390/chemistry3020044 - 20 May 2021
Viewed by 856
Abstract
This works aims to provide an understanding on basic chemical kinetics pertaining to three-way catalytic (TWC) converters from an educational perspective, aimed at those novel readers in this field. Rate of reactions and its factors are explained, showcasing that the chosen catalyst is [...] Read more.
This works aims to provide an understanding on basic chemical kinetics pertaining to three-way catalytic (TWC) converters from an educational perspective, aimed at those novel readers in this field. Rate of reactions and its factors are explained, showcasing that the chosen catalyst is the main factor affecting the overall rate of reaction. Furthermore, this overview revisit insights of the catalytic converter structure and the environmental issues that come along with it. Lastly, the chemical and physical properties of the reactants and products-pollutant and less-toxic gases—are discussed, in order to gather a better understanding of the reactants and products that enters a catalytic converter. Full article
(This article belongs to the Special Issue 2021 Profile Papers by Chemistry' Editorial Board Members)
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Planned Papers

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.

Title: Self-assembly of amphiphilic block copolyphosphazenes in aqueous media
Authors: Silvia Suárez-Suárez; Raquel de la Campa; Gabino A. Carriedo; Alejandro Presa Soto
Affiliation: Departamento de Química Orgánica e Inorgánica (Facultad de Química/IUQOEM). Universidad de Oviedo, Julián Clavería, 8, Oviedo, Spain
Abstract: We herein describe the synthesis and self-assembly of series of polyphosphazene block copolymers equipped with a water soluble [N=P[(OCH2CH2)2OCH3]n blocks. The self-assembly of these materials in aqueous mixtures and pure water lead to variety of well-defined nanomorphologies including vesicles and nanotubes.

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