Logo image
Examining the interactions of a thermally robust task-specific phosphonium-based ionic compound
Journal article   Peer reviewed

Examining the interactions of a thermally robust task-specific phosphonium-based ionic compound

Lara I Teodoro, Sophia A Bellia, Matthias Zeller and Patrick C Hillesheim
Chemical Data Collections, Vol.35, p.100760
10-2021

Abstract

Hirshfeld surfaces Non-covalent interactions Phosphonium salts Reduced density gradient analysis Structural analysis
•Synthesis of a novel task-specific ionic salt bearing a hydroxyl moiety.•Thermal analysis of the compound shows a high decomposition temperature.•Structural analysis of the compound reveals extensive π bonding.•Surface analysis and RDG analysis help to elucidate the observed interactions. A novel ionic compound based on the butylated triphenylphosphonium cation was synthesized and its structure characterized via single-crystal and powder X-ray diffraction. To examine the inter and intra-molecular forces present in the salt, Hirshfeld surface analysis was completed for both the cation and the anion. Reduced density gradient analysis was performed to supplement the surface analysis. The results of the structural and computational data are correlated with thermal data to analyze the decomposition and phase changes in the material. [Display omitted]

Metrics

18 Record Views
3 Times Cited - Scopus

Details

Logo image