TY - JOUR
T1 - Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone)
T2 - optical properties and computational modelling
AU - Pallipurath, Anuradha
AU - Skelton, Jonathan M.
AU - Delori, Amit
AU - Duffy, Connor
AU - Erxleben, Andrea
AU - Jones, William
PY - 2015/9/4
Y1 - 2015/9/4
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84943796141&partnerID=8YFLogxK
U2 - 10.1039/c5ce01644d
DO - 10.1039/c5ce01644d
M3 - Article
AN - SCOPUS:84943796141
SN - 1466-8033
VL - 17
SP - 7684
EP - 7692
JO - CrystEngComm
JF - CrystEngComm
IS - 40
ER -