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Special Issue "Halogen bonding and Other σ-Hole Interactions: Insights from Theory and Experiment"

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Computational and Theoretical Chemistry".

Deadline for manuscript submissions: 30 June 2021.

Special Issue Editor

Dr. Tanja van Mourik
Guest Editor
School of Chemistry, University of St Andrews, North Haugh, St Andrews, KY16 9ST, UK
Interests: computational chemistry; electronic structure; intermolecular interactions; halogen bonding; density functional theory; ab initio

Special Issue Information

Dear Colleagues,

The last two decades have seen a huge upsurge in studies on halogen bonding, both experimentally and computationally. Halogen bonding plays important roles in many aspects of chemistry and biology, including materials science, molecular crystals, biological molecules, and molecular recognition. Halogen bonding arises from the interaction of a nucleophile with a positive region (dubbed the σ-hole) located at the elongation of the R–X bond (where R is the atom or group the halogen X is covalently bonded to). Additionally, chalcogens, pnicogens, tetrels, and even aerogens (noble gases) may contain σ-holes at the elongation of a covalent bond, leading to chalcogen, pnicogen, tetrel, and aerogen bonding. Although these have been much less studied compared to halogen bonding, they may have similar beneficial applications to halogen bonds. This Special issue will cover experimental and computational studies on the whole range of σ-hole interactions.

Dr. Tanja van Mourik
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at 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 2000 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.

Published Papers

This special issue is now open for submission.
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