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Origin of attraction in p-benzoquinone complexes with benzene and p-hydroquinone

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Abstract

The origin of the attraction in charge-transfer complexes (a p-hydroquinone–p-benzoquinone complex and benzene complexes with benzoquinone, tetracyanoethylene and Br2) was analyzed using distributed multipole analysis and symmetry-adapted perturbation theory. Both methods show that the dispersion interactions are the primary source of the attraction in these charge-transfer complexes followed by the electrostatic interactions. The natures of the intermolecular interactions in these complexes are close to the π/π interactions of neutral aromatic molecules. The electrostatic interactions play important roles in determining the magnitude of the attraction. The contribution of charge-transfer interactions to the attraction is not large compared with the dispersion interactions in these complexes.

Graphical abstract: Origin of attraction in p-benzoquinone complexes with benzene and p-hydroquinone

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Publication details

The article was received on 02 Jun 2017, accepted on 09 Aug 2017 and first published on 09 Aug 2017


Article type: Paper
DOI: 10.1039/C7CP03712K
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    Origin of attraction in p-benzoquinone complexes with benzene and p-hydroquinone

    S. Tsuzuki, T. Uchimaru and T. Ono, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP03712K

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