Noncovalent chemical chameleons in action: positive cooperativity of trifurcated halogen bonds in 2I⋯I⋯Nu assemblies
Abstract
in ZAQZOK. Natural bond orbital analysis confirms that charge transfer from the central iodine's lone pairs to the antibonding σ* orbitals of the flanking molecules drives this synergistic behavior. These findings validate the chemical chameleon property as a foundation for crystal engineering, establishing the 2I⋯I⋯Nu motif as a robust supramolecular synthon.
Fields of Study & Subjects
Crystallography and molecular interactions
Inorganic Fluorides and Related Compounds
Organic and Molecular Conductors Research
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 14
- Pages
- 8478–8486
- Publication date
- 1 January 2026
- Language
- EN