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

Anuradha Pallipurath, Jonathan M. Skelton, Amit Delori, Connor Duffy, Andrea Erxleben, William Jones

    Research output: Contribution to journalArticlepeer-review

    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.

    Original languageEnglish
    Pages (from-to)7684-7692
    Number of pages9
    JournalCrystEngComm
    Volume17
    Issue number40
    DOIs
    Publication statusPublished - 4 Sep 2015

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