title: Solvent effects on infrared spectroscopy of 17beta-hydroxy-17-methyl-2-oxa-5alpha-androstan-3-one in single solvents.
abstract: 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.
authors.affiliation: Department of Chemistry, Zhejiang University, Hangzhou 310027, PR China.
authors.forename: Qing
authors.initials: Q
authors.lastname: Liu
authors.forename: Yaqin
authors.initials: Y
authors.lastname: Liu
authors.forename: Hui
authors.initials: H
authors.lastname: Zhang
authors.forename: Zhengru
authors.initials: Z
authors.lastname: Wen
mesh_terms: D013196:Dihydrotestosterone / Q000031:analogs & derivatives* / Q000737:chemistry; D006860:Hydrogen Bonding; D015394:Molecular Structure; D012997:Solvents / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D014867:Water
chemical_list: D012997:Solvents; D014867:Water; D013196:Dihydrotestosterone; C038097:androstan-3-one