Seventeen-Coordinate Actinide Helium Complexes.

@article{Kaltsoyannis2017SeventeenCoordinateAH,
  title={Seventeen-Coordinate Actinide Helium Complexes.},
  author={Nikolas Kaltsoyannis},
  journal={Angewandte Chemie},
  year={2017},
  volume={56 25},
  pages={7066-7069}
}
The geometries and electronic structures of molecular ions featuring He atoms complexed to actinide cations are explored computationally using density functional and coupled cluster theories. A new record coordination number is established, as AcHe173+ , ThHe174+ , and PaHe174+ are all found to be true geometric minima, with the He atoms clearly located in the first shell around the actinide. Analysis of AcHen3+ (n=1-17) using the quantum theory of atoms in molecules (QTAIM) confirms these… CONTINUE READING
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