Application of hybrid MOF composite in extraction of f-block elements: Experimental and computational investigation

Gauri Salunkhe, Arijit Sengupta, Anil Boda, Roxana Paz, Nishesh Kumar Gupta, Carolina Leyva, Rohit Singh Chauhan, Sk Musharaf Ali

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


An attempt was made to understand the sorption behaviour of UO22+, Th4+ and Eu3+ on novel hybrid metal-organic framework composites, FeBDC@CoBDC. The XRD pattern revealed the composite nature of the hybrid MOF materials, while FTIR and Raman spectroscopic analyses evidenced the presence of different functional moieties. The thermal stability of the hybrid MOF composites was investigated through thermogravimetric analysis. The sorption predominantly followed Langmuir isotherm with sorption capacity of 189 mg g−1, 224 mg g−1 and 205 mg g−1 for UO22+, Th4+ and Eu3+ respectively. The sorption proceeded through chemisorption following pseudo 2nd order rate kinetics. The processes were found to be thermodynamically favourable and endothermic in nature. However, they were entropically driven. Multiple contacts of complexing agents were necessary for quantitative elution of f-elements from loaded MOF. The MOF showed moderate stability towards radiation exposure. DFT calculation was used for the optimization of structures, estimation of bond length and estimation of binding energy. In hybrid MOF composites, the Fe atom was having six coordination with 4 O atoms of BDC moieties and 2 O atoms of –OH groups. The O atoms of BDC and –OH groups were coordinated to Eu, Th and U atoms during their sorption.

Original languageEnglish
Article number132232
StatePublished - Jan 2022
Externally publishedYes


  • f-block elements
  • Isotherm
  • Kinetics
  • Metal-organic framework
  • Thermodynamics


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