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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
Identifiers
http://hdl.handle.net/10379/13390
 https://doi.org/10.13025/26568
Publication Date
2015-01-01
Keywords
solid-state, pharmaceutical cocrystals, luminescent properties, co-crystal, solubility, drug, form, acetaminophen, derivatives, inclusion
Type
Article
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Citation
Pallipurath, Anuradha; Skelton, Jonathan M. Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William (2015). Crystalline adducts of the lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling. CrystEngComm 17 (40), 7684-7692
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.
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Publisher
Royal Society of Chemistry (RSC)
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Attribution-NonCommercial-NoDerivs 3.0 Ireland
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Externally hosted open access publications with University of Galway authors (2)