On the Quantum Chemical Nature of Lead(II) “Lone Pair”

  title={On the Quantum Chemical Nature of Lead(II) “Lone Pair”},
  author={Christophe Gourlaouen and Jean-Philip Piquemal},
We study the quantum chemical nature of the Lead(II) valence basins, sometimes called the lead “lone pair”. Using various chemical interpretation tools, such as molecular orbital analysis, natural bond orbitals (NBO), natural population analysis (NPA) and electron localization function (ELF) topological analysis, we study a variety of Lead(II) complexes. A careful analysis of the results shows that the optimal structures of the lead complexes are only governed by the 6s and 6p subshells… 

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