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Cooperative and Diminutive Effects of Pnicogen Bonds and Cation–π Interactions

Authors

  • Dr. Qingzhong Li,

    1. Laboratory of Theoretical and Computational Chemistry and School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005 (P.R. China), Fax: (+86) 535-6902063
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  • Hongying Zhuo,

    1. Laboratory of Theoretical and Computational Chemistry and School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005 (P.R. China), Fax: (+86) 535-6902063
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  • Xin Yang,

    1. Laboratory of Theoretical and Computational Chemistry and School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005 (P.R. China), Fax: (+86) 535-6902063
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  • Prof. Dr. Jianbo Cheng,

    Corresponding author
    1. Laboratory of Theoretical and Computational Chemistry and School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005 (P.R. China), Fax: (+86) 535-6902063
    • Laboratory of Theoretical and Computational Chemistry and School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005 (P.R. China), Fax: (+86) 535-6902063

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  • Wenzuo Li,

    1. Laboratory of Theoretical and Computational Chemistry and School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005 (P.R. China), Fax: (+86) 535-6902063
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  • Prof. Robert E. Loffredo

    1. Department of Chemistry, Truett McConnell College, Cleveland, GA 30528 (USA)
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Abstract

The interplay between pnicogen bonds and cation–π interactions has been investigated at the MP2/aug-cc-pVDZ level. Interesting cooperative and diminutive effects are observed when pnicogen bonds and cation–π interactions coexist in the same complex. These effects have been analyzed in terms of the structural, energetic, and charge-transfer properties of the complexes. The variations in electron density at critical points of the intermolecular bond have been used to analyze bond strengthening or weakening. The nature of the interactions and the mechanisms of cooperative and diminutive effects have been studied by means of symmetry-adapted perturbation theory and molecular electrostatic potentials.

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