溶剂效应对2-乙酰呋喃在16种溶剂中的红外光谱的影响

Solvent Effects on Infrared Spectra of 2-Furyl Methyl Ketone in Sixteen Single Solvents

研究了16种不同溶剂中的2-乙酰呋喃(2-furyl methyl ketone,2-FMK)的红外光谱,并通过与溶剂参数相关分析探讨了2-FMK与溶剂的作用机制。结果表明,在16种溶剂中,2-FMK的羰基伸缩振动频率出现红移,并且在醇溶剂和氯仿中出现了新的振动谱带,表明2-FMK的羰基与醇分子或氯仿之间存在特异性的氢键作用而出现新的羰基类型。溶剂参数如AN值、S值、G值与游离2-FMK在不同溶剂中的羰基伸缩振动频率具有良好的相关性,Swain方程和LSER模型能较好的描述溶剂对2-FMK羰基伸缩振动频率的影响。

The Infrared spectra of 2-furyl methyl ketone（2-FMK） in 16 pure organic solvents, and the relationship between the carbonyl stretching vibration frequencies（υ_（C=O）） of 2-FMK in 16 single solvents and the empirical parameters of solvent polarity for the corresponding solvents were analyzed in order to discuss the interaction mechanism of 2-FMK with different solvents. The experiment results showed that the carbonyl stretching vibration frequencies of 2-FMK in 16 single solvents were shifted to lower wavenumbers（red-shift）, and the new absorption bands in alcohol and CHCl3 solvents were observed, indicating that there is the specific interaction between the 〉C=O group in 2-FMK molecule and those solvents molecule to produce new 〉C=O species, which may be an associated species by the hydrogen bonding. There were good relationship between carbonyl stretching vibration frequencies of drifted 2-FMK in different solvents and some solvent parameters such as AN value, S value, G value, Swain parmeters（Aj and Bj） and LESR model were suitable to describe the effect of solvent on the carbonyl stretching vibration frequencies of 2-FMK.