What question did this study set out to answer?

This research aims to explore the unique bonding behavior of trifurcated halogen bonds in multicenter systems.

March 6, 2026Open Access

Noncovalent Chemical Chameleons in Action: Positive Cooperativity of Trifurcated Halogen Bonds in 2I•••I•••Nu Assemblies

NBNadezhda A. BokachSt Petersburg University VKVadim Yu. KukushkinAltai State University RGRosa M. GomilaUniversitat de les Illes Balears

Key Points

This research aims to explore the unique bonding behavior of trifurcated halogen bonds in multicenter systems.
Conducted a theoretical investigation of trifurcated halogen bond assemblies.
Utilized crystallographic data to analyze bonding patterns.
Examined cooperativity effects in donor-only systems.
Identified positive cooperativity in the 2I•••I•••Nu assemblies.
Contrasted with typical negative cooperativity observed in other systems.
Demonstrated robust bonding patterns that challenge existing theories.

Abstract

While multicenter halogen bonds typically exhibit negative cooperativity in donor-only systems, crystallographic surveys reveal robust hetero-atomic assemblies featuring the 2I••Here we present a comprehensive theoretical investigation of this bonding pattern...

KI fragen

Bookmark

View Full Paper