Pentavalent Curium, Berkelium, and Californium in Nitrate Complexes: Extending Actinide Chemistry and Oxidation States.

  title={Pentavalent Curium, Berkelium, and Californium in Nitrate Complexes: Extending Actinide Chemistry and Oxidation States.},
  author={Attila Kov{\'a}cs and Phuong Diem Dau and Joaquim Marçalo and John K. Gibson},
  journal={Inorganic chemistry},
  volume={57 15},
Pentavalent actinyl nitrate complexes AnVO2(NO3)2- were produced by elimination of two NO2 from AnIII(NO3)4- for An = Pu, Am, Cm, Bk, and Cf. Density functional theory (B3LYP) and relativistic multireference (CASPT2) calculations confirmed the AnO2(NO3)2- as AnVO2+ actinyl moieties coordinated by nitrates. Computations of alternative AnIIIO2(NO3)2- and AnIVO2(NO3)2- revealed significantly higher energies. Previous computations for bare AnO2+ indicated AnVO2+ for An = Pu, Am, Cf, and Bk, but… 
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  • A. Kovács
  • Chemistry, Physics
    The journal of physical chemistry. A
  • 2017
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