A polymeric zirconium (IV) oxalate complex K-2[Zr(C2O4)(2)(mu-C2O4)] center dot 2H(2)O: Structural elucidation, stereo-chemical and Hirshfeld surface analysis

作者：Hamdouni Monia^*; Walha Siwar; Van der Lee Arie; Kabadou Ahlem

来源：Inorganic Chemistry Communications, 2015, 60: 97-102.

DOI：10.1016/j.inoche.2015.08.001

• Zirconium-potassium oxalate complex
• Stereo-chemical study
• Hirshfeld surface analysis
• Thermal decomposition

Within the scope of a systematic study of eight-coordinate Zr-IV chelates, a mixed potassium trioxalatozirconate (IV) complex, namely K-2[Zr(C2O4)(2)(mu-C2O4)] center dot 2H(2)O, has been synthesized. Its structure framework represents a zirconium (IV) carboxylate polymer displaying interesting polymeric zigzag chains of ZrO8 units running parallel to the c axis. Stereo-chemical study of polyhedral eight-vertex structure revealed that in ZrO8 the average in the coordination polyhedral is a Biaugmented trigonal prism J50 chelate. Hirshfeld surface and fingerprint plot analysis revealed that O center dot center dot center dot O intermolecular interactions are the most important ones accountable for the reinforcement of the supramolecular assembly of the coordination polymers. The thermal decomposition has been studied by coupled ATD-TGA and supplemented by infrared and Raman emission spectroscopy as a function of temperature which nicely corroborated the crystal structure and suggest a deformation in the Zr-O chelate with departure of water molecules.

• 出版日期2015-10