A Themed Issue Dedicated to First Nobel Chemist Professor Jacobus H. van 't Hoff

A special issue of Symmetry (ISSN 2073-8994). This special issue belongs to the section "Chemistry: Symmetry/Asymmetry".

Deadline for manuscript submissions: closed (31 December 2023) | Viewed by 1718

Special Issue Editor


E-Mail Website
Guest Editor
Department of Applied Physics, School of Science, Nanjing University of Science and Technology, No. 200 Xiaolingwei Street, Nanjing, China
Interests: computational chemistry; theoretical electrochemistry; separation

Special Issue Information

Dear Colleagues,

This Special Issue of Symmetry is dedicated to Professor Jacobus Henricus van 't Hoff (born August 30, 1852, Rotterdam, The Netherlands), who won the First Nobel Prize for Chemistry in 1901.

In 1869 he entered the Polytechnic School at Delft and obtained his technology diploma in 1871. He returned to Holland in 1874 and obtained his doctorate degree that same year under E. Mulder in Utrecht. In 1876 he became a lecturer at the Veterinary College at Utrecht, but left this post for a similar position at the University of Amsterdam the following year. In 1878 came his appointment as Professor of Chemistry, Mineralogy, and Geology at the same university.

Dr van 't Hoff has acquired fame particularly as a result of his epoch-making publications. His doctorate thesis (1874) was entitled Bijdrage tot de Kennis van Cyaanazijnzuren en Malonzuur (Contribution to the Knowledge of Cyanoacetic Acids and Malonic Acid). Of far greater weight, however, was his publication which appeared several months before: Voorstel tot Uitbreiding der Tegenwoordige in de Scheikunde gebruikte Structuurformules in de Ruimte, etc. (Proposal for the Development of 3-Dimensional Chemical Structural Formulae). This small pamphlet, consisting of twelve pages of text and one page of diagrams, gave the impetus for the development of stereochemistry. The concept of the “asymmetrical carbon atom”, dealt with in this publication, supplied an explanation for the occurrence of numerous isomers, inexplicable by means of the then-current structural formulae. At the same time, he pointed out the existence of a relationship between optical activity and the presence of an asymmetrical carbon atom.

We plan to organize a Special Issue honoring Jacobus Henricus van 't Hoff’s distinguished scientific career. This Special Issue will consist of communications, original research articles, and review articles related to theoretical chemistry, physical chemistry and stereochemistry, as well as anecdotes on Jacobus Henricus van 't Hoff.

Prof. Dr. Cheng Zhan
Guest Editor

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 submissions that pass pre-check are 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. Symmetry is an international peer-reviewed open access monthly 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 2400 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.

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue polices can be found here.

Published Papers (1 paper)

Order results
Result details
Select all
Export citation of selected articles as:

Research

14 pages, 2933 KiB  
Article
Computational Study of Some 4’-Aryl-1,2,4-triazol-1-ium-4-R2-phenacylid Derivatives in Vacuum and Dimethylformamide
by Nicoleta Melniciuc Puica, Dan-Gheorghe Dimitriu, Gabriela Apreotesei, Ana Cezarina Moroșanu and Dana-Ortansa Dorohoi
Symmetry 2022, 14(10), 2099; https://doi.org/10.3390/sym14102099 - 8 Oct 2022
Viewed by 1294
Abstract
Four carbanion monosubstituted 4’-aryl-1,2,4-triazol-1-ium-4-R2-phenacylids, used as precursors in obtaining new heterocyclic compounds, and their corresponding derivatives belonging to the C2v point group of symmetry were studied by computational means in dimethylformamide (DMF) solutions compared with their isolated state. The changes [...] Read more.
Four carbanion monosubstituted 4’-aryl-1,2,4-triazol-1-ium-4-R2-phenacylids, used as precursors in obtaining new heterocyclic compounds, and their corresponding derivatives belonging to the C2v point group of symmetry were studied by computational means in dimethylformamide (DMF) solutions compared with their isolated state. The changes in the computed parameters induced by the solvent compared with those of the isolated molecules were analyzed in this paper. The charge distribution and the molecular energies in the HOMO and LUMO, the electronic states responsible for the visible absorption band of 4’-aryl-1,2,4-triazol-1-ium-4-R2-phenacylids, in their isolated state and in solutions achieved in DMF were computed and compared with the visible electronic absorption spectra. The molecular descriptors of the studied compounds were computed, and the higher reactivity of the carbanion monosubstituted 4’-aryl-1,2,4-triazol-1-ium-4-R2-phenacylids compared with symmetric derivatives was established. The obtained results can help researchers to obtain new heterocycles with applications in the drug industry. Full article
Show Figures

Figure 1

Back to TopTop