FTIR spectral studies of methyltestorone in single and binary solvent systems

The studies on the solvent effects of methyltestorone (MT) in 19 different organic solvents and n-C6H14/CHCl3 binary solvents were undertaken by FTIR spectroscopy. The wavenumbers of carbonyl stretching vibration for MT (ν(CO)) in individual solvents were correlated with the empirical solvent parameters such as Schleyer's linear free energy equation (G-value), the solvent acceptor number (AN) and the linear solvation energy relationships (LSER), respectively. The solvent-induced carbonyl stretching vibration wavenumber shifts of MT exhibited a better correlation with the LSER than the other solvent parameters. With the increase of the volume fraction of chloroform (XCHCl3) in the n-C6H14/CHCl3 binary solvents, two kinds of ν(CO) of MT were observed and assigned. The formation constant (K0) of the interaction between MT and CHCl3 and the free energy change (ΔG0) of the system were calculated in the binary solvents by Nash's method.