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

Abstract 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.