Song Huali, Zhang Hui, Yang Haixiang, Liu Qing
Department of Chemistry, Zhejiang University, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2009 May;72(4):709-14. doi: 10.1016/j.saa.2008.11.007. Epub 2008 Nov 19.
The studies on the solvent effects of methyltestorone (MT) in 19 different organic solvents and n-C(6)H(14)/CHCl(3) binary solvents were undertaken by FTIR spectroscopy. The wavenumbers of carbonyl stretching vibration for MT (nu(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 (X(CHCl3)) in the n-C(6)H(14)/CHCl(3) binary solvents, two kinds of nu(CO) of MT were observed and assigned. The formation constant (K(0)) of the interaction between MT and CHCl(3) and the free energy change (DeltaG(0)) of the system were calculated in the binary solvents by Nash's method.
采用傅里叶变换红外光谱法研究了甲基睾酮（MT）在19种不同有机溶剂以及正己烷/氯仿二元溶剂中的溶剂效应。分别将MT在各溶剂中羰基伸缩振动的波数（ν(CO)）与经验溶剂参数进行关联，这些参数包括施莱耶尔线性自由能方程（G值）、溶剂接受数（AN）以及线性溶剂化能关系（LSER）。MT的溶剂诱导羰基伸缩振动波数位移与LSER的相关性比与其他溶剂参数的相关性更好。随着正己烷/氯仿二元溶剂中氯仿体积分数（X(CHCl3)）的增加，观察到并归属了MT的两种ν(CO)。采用纳什方法计算了二元溶剂中MT与氯仿相互作用的形成常数（K(0)）以及体系的自由能变化（ΔG(0)）。
Zotero 插件