Abstract
This study discusses the synthesis and characterization of three thorium complexes with a general composition of [Th(L)4(EtOH)] demonstrated a nine-coordinated geometry in acylpyrazolone chemistry, a novel finding supported by single crystal evidence. A detailed analysis of complex [Th(L2)2(DMF)] was conducted, utilizing single-crystal X-ray diffraction data and Hirshfeld surface area analysis to investigate secondary interactions, exploring the planarity and bonding characteristics of the crystals. Covalency parameters such as the Nephelauxetic ratio, Sinha parameter, bonding parameter, and angular overlap parameter were calculated from electronic spectral data, revealing positive covalency and electron delocalization across the 5f orbital for all complexes. Notably, the presence of solvent bound to the 9th coordination site of the complex suggests potential changes in covalency across different solvents, thereby indirectly impacting chemical characteristics.
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