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The topology of π···H hydrogen bonds

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An Erratum to this article was published on 17 February 2012

Abstract

Unsaturated hydrocarbons are routinely used as proton acceptors because their π clouds possess a capacity to interact with Lewis acids and cationic species. Thus, in order to understand the formation of π hydrogen-bonded complexes, which in many cases are considered as weakly bound systems, the topological quantification of the charge density ruled by quantum mechanic theorems is very useful. Although elaborated by Richard Bader 40 years ago, the Quantum Theory of Atoms in Molecules (QTAIM) has only recently become widely known, and it has been applied in several scientific fields, allowing great insights in chemical bonding studies of intermolecular systems, in particular those formed by π···H hydrogen bonds.

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CNPq and CAPES Brazilian funding agencies are acknowledged.

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Authors and Affiliations

  1. Instituto de Ciências Ambientais e Desenvolvimento Sustentável, Universidade Federal da Bahia, Barreiras, BA, 47801-100, Brazil

    Boaz G. Oliveira

  2. Departamento de Química, Universidade Federal da Paraíba, João Pessoa, PB, 58036-300, Brazil

    Regiane C. M. U. Araújo

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Correspondence to Boaz G. Oliveira.

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An erratum to this article can be found at http://dx.doi.org/10.1007/s00706-012-0731-7.

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Oliveira, B.G., Araújo, R.C.M.U. The topology of π···H hydrogen bonds. Monatsh Chem 142, 861–873 (2011). https://doi.org/10.1007/s00706-011-0540-4

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