Self-assembly of supramolecular architectures driven by σ-hole interactions: a halogen-bonded 2d network based on a diiminedibromido gold(III) complex and tribromide building blocks

M Carla Aragoni, M Francesca Cherchi, Vito Lippolis, Anna Pintus, Enrico Podda, Alexandra M Z Slawin, J Derek Woollins, Massimiliano Arca*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Downloads (Pure)

Abstract

The reaction of the complex [Au(phen)Br2](PF6) (phen = 1,10-phenanthroline) with molecular dibromine afforded {[Au(phen)Br2](Br3)} (1). Single crystal diffraction analysis showed that the [Au(phen)Br2]+ complex cations were bridged by asymmetric tribromide anions to form infinite zig-zag chains featuring the motif ···Au–Br···Br–Br–Br···Au–Br···Br–Br–Br···. The complex cation played an unprecedented halogen bonding (XB) donor role engaging type-I and type-II XB noncovalent interactions of comparable strength with symmetry related [Br3] anions. A network of hydrogen bonds connects parallel chains in an infinite 2D network, contributing to the layered supramolecular architecture. DFT calculations allowed clarification of the nature of the XB interactions, showing the interplay between orbital mixing, analyzed at the NBO level, and electrostatic contribution, explored based on the molecular potential energy (MEP) maps of the interacting synthons.
Original languageEnglish
Article number6289
Number of pages9
JournalMolecules
Volume27
Issue number19
DOIs
Publication statusPublished - 23 Sept 2022

Keywords

  • Supramolecular
  • Bromine
  • Sigma-hole
  • Halogen bond
  • Crystallography
  • Gold
  • Polyhalide
  • DFT

Fingerprint

Dive into the research topics of 'Self-assembly of supramolecular architectures driven by σ-hole interactions: a halogen-bonded 2d network based on a diiminedibromido gold(III) complex and tribromide building blocks'. Together they form a unique fingerprint.

Cite this