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 journalArticle

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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.
LanguageEnglish
Pages7684-7692
JournalCrystEngComm
Volume17
Issue number40
Early online date4 Sep 2015
DOIs
StatusPublished - 28 Oct 2015

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Pyridine
adducts
pyridines
Optical properties
Crystalline materials
optical properties
Molecules
Color
color
molecules
Propane
propane
Spectroscopy
shift
spectroscopy
pyridine
lawsone
4,4'-bipyridyl

Cite this

Pallipurath, A., Skelton, J. M., Delori, A., Duffy, C., Erxleben, A., & Jones, W. (2015). Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling. CrystEngComm, 17(40), 7684-7692. https://doi.org/10.1039/C5CE01644D

Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling. / Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William.

In: CrystEngComm, Vol. 17, No. 40, 28.10.2015, p. 7684-7692.

Research output: Contribution to journalArticle

Pallipurath, A, Skelton, JM, Delori, A, Duffy, C, Erxleben, A & Jones, W 2015, 'Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling' CrystEngComm, vol. 17, no. 40, pp. 7684-7692. https://doi.org/10.1039/C5CE01644D
Pallipurath, Anuradha ; Skelton, Jonathan M. ; Delori, Amit ; Duffy, Connor ; Erxleben, Andrea ; Jones, William. / Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling. In: CrystEngComm. 2015 ; Vol. 17, No. 40. pp. 7684-7692.
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