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Issue 35, 2018
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The coulombic σ-hole model describes bonding in CX3I⋯Y complexes completely

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Abstract

Contrary to recent reports, the σ-hole interaction energies of complexes between the carbon tetrahalides CX3I (X = F, Cl, Br, I) and halide anions Y (Y = F, Cl, Br, I) are described very well by the simple Coulombic σ-hole concept if it is applied properly. There is no need to invoke charge transfer, which in any case is not uniquely distinguishable from polarization.

Graphical abstract: The coulombic σ-hole model describes bonding in CX3I⋯Y− complexes completely

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Publication details

The article was received on 15 May 2018, accepted on 21 Aug 2018 and first published on 21 Aug 2018


Article type: Paper
DOI: 10.1039/C8CP03079K
Citation: Phys. Chem. Chem. Phys., 2018,20, 22849-22855
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    The coulombic σ-hole model describes bonding in CX3I⋯Y complexes completely

    T. Clark and A. Heßelmann, Phys. Chem. Chem. Phys., 2018, 20, 22849
    DOI: 10.1039/C8CP03079K

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