【摘要】 测量了1,1,3,3-四甲基脲(TMU)在20种不同溶剂中的拉曼光谱,研究了TMU与溶剂之间的相互作用。将TMU羰基的拉曼频移分别与Kirkwood-Bauer-Magat(KBM)参数(ε-1)/(2ε+1)、溶剂受体数(acceptor number,AN)和线性溶剂自由能关系(linear solvation energy relationships,LSER)进行相关分析。结果表明,TMU的CO键振动频移与KBM参数没有很好的线性关系,和受体数之间存在比较好的相关性,与LSER参数的线性关系最好。按受体数把溶剂分为质子性溶剂和非质子性溶剂,分别和羰基频移有好的相关性。通过对LSER参数的分析,可以很好地解释溶质和溶剂间的相互作用。更多还原

【Abstract】 Raman spectra of 1,1,3,3-tetramethylurea in 20 solvents were obtained to investigate the solute-solvent interactions and to correlate solvent properties such as the Kirkwood-Bauer-Magat(KBM)equation,the solvent acceptor number(AN)and the linear solvation energy relationships(LSER),respectively,with the Raman shifts of carbonyl group.There is little linear relation between dielectric constants and the Raman shift.These solvents were divided into two sections by the acceptor number.The two sections exhibit a good correlation with AN,respectively.These frequencies show a better correlation with LSER than the solvent AN.How the solvents interacts with the CO can be obtained from the regression coefficients.更多还原