U-Oyl Stretching Vibrations as a Quantitative Measure of the Equatorial Bond Covalency in Uranyl Complexes: A Quantum-Chemical Investigation.

@article{Pietro2016UOylSV,
  title={U-Oyl Stretching Vibrations as a Quantitative Measure of the Equatorial Bond Covalency in Uranyl Complexes: A Quantum-Chemical Investigation.},
  author={Poppy Di Pietro and Andrew Kerridge},
  journal={Inorganic chemistry},
  year={2016},
  volume={55 2},
  pages={573-83}
}
The molecular structures of a series of uranyl (UO2(2+)) complexes in which the uranium center is equatorially coordinated by a first-row species are calculated at the density functional theory level and binding energies deduced. The resulting electronic structures are investigated using a variety of density-based analysis techniques in order to quantify the degree of covalency in the equatorial bonds. It is shown that a consideration of the properties of both the one-electron and electron-pair… CONTINUE READING

References

Publications referenced by this paper.

AIMAll (Version 14.11.23)

  • T A.
  • TK Gristmill Software,
  • 1993

Similar Papers

Loading similar papers…