Advances in Cycloadditions: Theory, Practice, and Applications
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Organic Chemistry".
Deadline for manuscript submissions: closed (31 December 2020) | Viewed by 19793
Special Issue Editors
Interests: Density Functional Theory; post-SCF methods; chemical reactivity; catalysis
Special Issues, Collections and Topics in MDPI journals
Interests: synthetic aspects of heterocyclic chemistry; 1,3-dipolar cycloadditions (enantiopure tricyclic benzodiazepines and β-lactam-based molecules); mechanistic and theoretical aspects of inter- and intra-molecular 1,3-dipolar cycloadditions; catalysis of cycloadditions by metal-oxide nanoparticles; behaviour of 1,3-dipolar species in aqueous medium
Special Issue Information
Dear Colleagues,
Cycloaddition reactions occupy a prominent place in both synthetic and mechanistic organic chemistry. The ever-growing number of papers, from the 100 papers published 50 years ago to the present-day 800+ papers published per year, witnesses the richness and diversity of this field.
Our current understanding of cycloaddition reactions relies upon the interplay between experimental, mechanistic, and theoretical results.
The synthetic effectiveness of cycloaddition reactions relies upon several key points. First, cycloadditions in both the inter- and intra-molecular version lead to products much more complex than the reactants. Next, a number of cycloadditions are able to generate carbo- or heterocyclic rings containing several contiguous stereocenters. As an intriguing topic, the absolute configuration of such newly formed stereocenters can now be controlled by the asymmetric version of cycloadditions in several ways, namely by metal-catalyzed or organo-catalyzed processes. Moreover, following the paradigm of green chemistry, a number of cycloadditions can be performed in water or aqueous media as an environmentally friendly approach. Finally, thanks to the latent array of functionalities of the cycloadducts, the latter can be transformed into a variety of other molecules, including many natural products.
Physical organic chemistry concepts and methods are widely used to elucidate the variety of cycloaddition mechanisms. The stereoconservativity (or not) of the reaction, solvent and isotope effects, and the kinetic determination of activation parameters are of great help to establish the degree of cycloaddition synchronicity and concertedness, the intermediacy of zwitterionic species, and so on.
Cycloaddition reactions have been a favorite playground for theoretical chemists for many decades since their rationalization by the orbital-based Woodward–Hoffman rules in the 1960s. Modern approaches to understanding the reactivity of cycloadditions range from ab initio calculations (based on both the wavefunction ansatz and density functional theory) to conceptual approaches exploiting calculated reactivity indices.
This Special Issue aims to present recent advances in the theory, practice, and applications of cycloadditions. It is our pleasure to invite you to submit a manuscript to this Special Issue. Full papers, communications, and reviews are all welcome.
Dr. Alessandro Ponti
Dr. Giorgio Molteni
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 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. 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 2700 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.
Keywords
- Cycloaddition
- Diels–Alder cycloaddition
- 1,3-dipolar cycloaddition
- Staudinger cycloaddition
- Higher-order cycloadditions
- "click" chemistry
- Metal-catalyzed cycloadditions
- Organo-catalyzed cycloadditions
- Asymmetric catalysis
- Mechanistic analysis
- Ab initio calculation
- Density functional theory (DFT)
- Reactivity indices
