Publication

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
Thumbnail Image
Files
Thumbnail Image
Manuscript_V7.pdf
Adobe PDF, 793.06 KB
Repository DOI
Publication Date
2015-09-04
Keywords
Solid state, Pharmaceutical cocrystals, Luminescent properties, Co-crystal, Solubility, Drug, Form, Acetaminophen, Derivatives, Inclusion
Type
Article
Downloads
Show all metadata
Citation
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 :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.
Funder
|~|
Publisher
Royal Society of Chemistry
Publisher DOI
10.1039/c5ce01644d
Rights
Attribution-NonCommercial-NoDerivs 3.0 Ireland
cbn
Collections
School of Chemistry (Scholarly Articles)