Structural variations of praseodymium(III) benzoate derivative complexes with dimethylformamide

Xianju Zhou, Wing Tak Wong, Sam C K HAU, Peter A. Tanner*

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

10 Citations (Scopus)


Eight- or nine-coordinated trivalent praseodymium complexes derived from para-substituted benzoic acids have been synthesized by the reaction of hydrated Pr(OH)3 with 4-XC6H4CO2H, where X = OMe, H, Cl, NO2, OH, NH2 or F, in dimethylformamide [DMF, (CH3)2NCHO], and eight single crystal X-ray structures have been determined. For the substituted systems studied, dimeric units hydrogen-bonded into chains or networks are observed in complexes comprising electron-donating groups X, whereas electron-withdrawing groups X form polymeric complexes. However, the steric effect of the ligand and the coordination of solvated molecules also play roles in determining the coordination polyhedra. The coordination geometry of the carboxylate ligand in these complexes is restricted to three types: bidentate chelating (η2); bridging bidentate (μ-η11 (O,O′)) and bridging chelating tridentate (μ-η21). Two geometrical isomers, of [Pr(C6H5COO)3(DMF)(H2O)]2, designated as a and b, crystallize in the same monoclinic space group but differ in the arrangement of C6H5COO and DMF ligands in their coordination polyhedra. The packing of isomer a is more efficient than that of b, resulting in a smaller unit-cell volume of about 50 Å3. Although functional group fingerprints from the p-substitution moieties are well-identified in the vibrational spectra of the complexes, reasons are provided to explain why the correlation between carboxyl group ligation and spectra cannot be readily made.

Original languageEnglish
Pages (from-to)138-148
Number of pages11
Publication statusPublished - 9 Mar 2015

Scopus Subject Areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

User-Defined Keywords

  • Benzoate complex
  • Crystal structure
  • Packing isomers
  • Praseodymium
  • Vibrational spectra


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