Chemical Reviews· 2015Q1· Review
Halogen Bonding in Supramolecular Chemistry
- 1,330citations
- Q1SCImago
- 2015year
Short summary
Computational methods, from quantum mechanics (QM) to classical force fields, are increasingly used to understand halogen bonding (XB) in supramolecular chemistry.
AI-generated from the title and abstract; the full text is not read.
Key points
- Computational methods, including QM and force fields, are key tools for studying halogen bonding (XB).
- QM is vital for analyzing weak intermolecular interactions, especially in condensed phases.
- Covalently bonded halogens are generally electron-rich, despite being electronegative elements.
AI-generated from the title and abstract; the full text is not read.
Abstract
A study is conducted to investigate halogen bonding in supramolecular chemistry. The study gives an overview of how computational methods have been applied to understand the nature of halogen bonding (XB) interactions, starting with quantum mechanics (QM) and moving on to methods based on classical force fields. QM is used to study weak intermolecular interactions as the characteristics of the noncovalently bonded system can be difficult to separate from other effects in condensed phases. Extensive investigations also reveal that halogen atoms are among the more electronegative elements, and covalently bonded halogens are usually considered to be electron rich.
The authors' abstract, as published at the source. Chemical Reviews, 2015 · DOI ↗
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Field: Physical and Theoretical Chemistry
Physical and Theoretical ChemistryChemistry