Halogen Bonds: Combining Experiment and Theory
A special issue of Molecules (ISSN 1420-3049).
Deadline for manuscript submissions: closed (30 November 2019) | Viewed by 19210
Special Issue Editor
Interests: selenium chemistry; chemical bonding; weak interactions; DFT; organometallic chemistry; catalysis
Special Issues, Collections and Topics in MDPI journals
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
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Keywords
- Noncovalent interactions
- Halogen bonding
- Computational studies
- Catalysis
- Spectroscopy
- Crystal engineering
- Bond analysis
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