Solvent effects on infrared spectroscopy of 17beta-hydroxy-17-methyl-2-oxa-5alpha-androstan-3-one in single solvents.
Infrared spectroscopy studies of 17beta-hydroxy-17-methyl-2-oxa-5alpha-androstan-3-one (HMOA) in 20 different pure organic solvents were undertaken to investigate the solute-solvent interactions and to correlate solvent properties, such as the KBM equation, the solvent acceptor number (AN), Schleyer's linear free energy equation (G-value), Dimroth and Reichardt's parameter E(T)(30) and Brownstein's parameter S with the frequency shifts of the carbonyl stretching vibration for solute. The result indicated that the KBM relationship is unsuitable to the complicated molecules. These frequencies exhibited a better correlation with the solvent parameters AN and G-value than others.
Liu
Qing
Q
Department of Chemistry, Zhejiang University, Hangzhou 310027, PR China.
Liu
Yaqin
Y
Zhang
Hui
H
Wen
Zhengru
Z
D013196:Dihydrotestosterone / Q000031:analogs & derivatives* / Q000737:chemistry; D006860:Hydrogen Bonding; D015394:Molecular Structure; D012997:Solvents / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D014867:Water
D012997:Solvents; D014867:Water; D013196:Dihydrotestosterone; C038097:androstan-3-one