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Issue 40, 2015
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Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling

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Abstract

Four new crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone) with 4,4′-bipyridine, 4-(2-pyridine-4-ethyl)pyridine, 1,3-di(4-pyridyl)propane and 2-hydroxy pyridine are reported. Adduct formation leads to colour shifts, which are characterised by UV/visible spectroscopy. Complementary quantum-chemical calculations are used to study the energetics of the adduct formation, and to gain insight into the origin of the observed colour changes.

Graphical abstract: Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling

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Publication details

The article was received on 14 Aug 2015, accepted on 03 Sep 2015 and first published on 04 Sep 2015


Article type: Paper
DOI: 10.1039/C5CE01644D
Citation: CrystEngComm, 2015,17, 7684-7692
  • Open access: Creative Commons BY license
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    Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling

    A. Pallipurath, J. M. Skelton, A. Delori, C. Duffy, A. Erxleben and W. Jones, CrystEngComm, 2015, 17, 7684
    DOI: 10.1039/C5CE01644D

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