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Special Issue "Halogen Bonds: Combining Experiment and Theory"

A special issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: 30 November 2019

Special Issue Editor

Guest Editor
Dr. Gianluca Ciancaleoni

Universita di Pisa, Department of Chemistry and Industrial Chemistry, Pisa, Italy
Website | E-Mail
Interests: noncovalent interactions, halogen bonding, bond analysis, molecular catalysis, organometallic complexes, theoretical chemistry, NMR spectroscopy, selenium chemistry

Special Issue Information

Dear Colleagues,

In the last 20 years halogen bonding has passed from being considered just a scientific curiosity to being an established and widespread tool used in chemistry and material science. Even if many aspects of halogen bonding have already been revealed, some debates are still going on about its nature and its real and potential applications.

In order to constructively contribute to these debates, particularly helpful is the combination of experimental and theoretical data, which can offer a unified and multi-faceted view of halogen bonding interactions. In this way, it is possible to provide a solid framework to interpret the present results and to plan future works.

This Special Issue aims to present new interconnections between experimental and theoretical techniques, with the possibility to explore all fields of chemistry: halogen bond-catalyzed reactions, structure–property correlations, solution and solid-state spectroscopy, functional materials engineering. Therefore, original manuscripts (either full-length articles or short communications) reporting on the combination of experimental and theoretical data, and theoretical works strongly based on published experimental studies (and vice-versa), are welcome, together with perspective and review articles.

Dr. Gianluca Ciancaleoni
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 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.


  • Noncovalent interactions
  • Halogen bonding
  • Computational studies
  • Catalysis
  • Spectroscopy
  • Crystal engineering
  • Bond analysis

Published Papers

This special issue is now open for submission.
Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
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