This talk focuses on a novel class of anions, designated non-valence correlation-bound (NVCB) anions, which are non-valence in nature and are only bound when correlation effects are included. In this talk NVCB anions of (H2O)n clusters, C6F6, TCNE, and C60 are considered. It is demonstrated that inclusion of orbital relaxation in response to correlation effects is essential for describing NVCB anions. In addition, using a (H2O)4 cluster model it is demonstrated that an electrostatically bound anion can evolve into a NVCB anion as the geometry is changed.

Theoretical approaches for treating non-valence correlation-bound anions

255th National Meeting (2018)

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