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在20种不同纯有机溶剂中,研究了5α-雄甾烷-3,17-二酮C3位和C17位羰基的红外光谱。将其羰基伸缩振动频率分别与经验溶剂参数如溶剂接受数AN、Brownstein的溶剂参数S和Schleyer线性自由能方程参数G值进行了相关分析。结果表明,C3位C=O在一元溶剂体系中出现2种谱带,而C17位C=O则出现3种谱带。羰基伸缩振动频率位移与AN值、G值具有较好的线性相关性,而在非醇溶剂中与S值线性相关较差。采用简单化合物丙酮分别对溶剂硝基苯、乙腈、二氯甲烷和氯仿的S值进行修正,并将复杂甾酮化合物5α-雄甾烷-3,17-二酮的羰基红外频率与S修正值进行线性分析,相关性良好。
In 20 different pure organic solvents, 5α-androstane-3,17-dione C3 and C17 carbonyl carbonyl infrared spectra were studied. The frequencies of carbonyl stretching vibration were respectively analyzed by empirical solvent parameters such as solvent acceptance number AN, solvent parameter S of Brownstein and parameter G of Schleyer’s linear free energy equation. The results show that there are two bands in C = O at C3 and two bands at C17 in C17. Carbonyl stretching vibration frequency shift and AN value, G value has a good linear correlation, while in the non-alcoholic solvent and the S value of the linear correlation is poor. The simple compounds acetone were respectively used to correct the S values of the solvents nitrobenzene, acetonitrile, dichloromethane and chloroform, and the carbonyl infra-red frequency of the complex steroid compound 5α-androstane-3,17-dione and the S correction value Linear analysis, good correlation.