TY - JOUR
T1 - Isomerization and aggregation of 2-(2-(2-hydroxy-4-nitrophenyl)hydrazono)-1-phenylbutane-1,3-dione
T2 - Recent evidences from theory and experiment
AU - Hristova, Silvia
AU - Kamounah, Fadhil S.
AU - Crochet, Aurelien
AU - Hansen, Poul Erik
AU - Fromm, Katharina M.
AU - Nedeltcheva, Daniela
AU - Antonov, Liudmil
PY - 2019/6/1
Y1 - 2019/6/1
N2 - The title compound potentially can exist as four isomers in solution. Recently Lycka has proposed a protocol for distinguishing two of them based on 15 N NMR. This approach has been confirmed theoretically, in the current study, and further developed into a logical scheme that allows the existence of each of the isomers to be proven in solution. The experimental data, obtained by NMR and UV–Vis spectroscopy, have shown that the studied compound exists as a mixture of two solvent stabilized isomers in diluted solutions of dimethyl sulfoxide. However, the concentration effect also plays a substantial role allowing formation of linear aggregates as the X-ray analysis and theoretical calculations show.
AB - The title compound potentially can exist as four isomers in solution. Recently Lycka has proposed a protocol for distinguishing two of them based on 15 N NMR. This approach has been confirmed theoretically, in the current study, and further developed into a logical scheme that allows the existence of each of the isomers to be proven in solution. The experimental data, obtained by NMR and UV–Vis spectroscopy, have shown that the studied compound exists as a mixture of two solvent stabilized isomers in diluted solutions of dimethyl sulfoxide. However, the concentration effect also plays a substantial role allowing formation of linear aggregates as the X-ray analysis and theoretical calculations show.
U2 - 10.1016/j.molliq.2019.03.073
DO - 10.1016/j.molliq.2019.03.073
M3 - Journal article
SN - 0167-7322
VL - 283
SP - 242
EP - 248
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
ER -