冠醚的物理化学性质研究 Ⅲ.苯甲酸及其衍生物与2,4-二酮16-冠-5的相互作用

冠醚的物理化学性质研究 Ⅲ.苯甲酸及其衍生物与2,4-二酮16-冠-5的相互作用 STUDIES ON PHYSICOCHEMICAL PROPERTIES OF CROWN ETHERS Ⅲ.Hydrogen bonds of 2,4-diketo-16-C-5-benzoic acid and its derivatives systems 颜肖慈 1 first-author 黎新 1 罗明道 1 黄载福 1 余荣泮 1 王力隆 1 武汉大学化学系 武汉大学化学系 用红外光谱研究了苯甲酸及其衍生物与2,4-二酮-16-冠-5的相互作用。测试发现,-F、-Cl、-OH在对位取代的苯甲酸与该冠醚作用基本相同,使该冠醚的羰基峰向低波数移动4cm -1 ,对氨基苯甲酸使羰基峰向低波数移动了6cm -1 。它们生成了分子间氢键。还用CNDO/2方法计算了苯甲酸及其衍生物分子。用计算结果解释了实验现象。予示了对甲基苯甲酸与该冠醚形成氢键的强度。 Hydrogen bonded complexes formed by benzoic acid, para-fluobenzoic acid, para-chlorobenzoic acid, para-oxybenzoic acid and para-aminobenzoic acid with crown ether 2,4-diketo-16-C-5 have been detected and investigated by means of infrared spectroscopy. The vibrations of this crown ether are all shifted to low wavenumbers. Wavenumber displacments of this crown ether on formation of such hydrogen bonds are all 4cm -1 except that is 6cm -1 when this crown ether acted on para-aminobenzoic acid. The mole- cules of benzoic acid and its derivatives have been calculated by CNDO/2 method, The calculative results explain well the experimental phenomena. 2,4-二酮16-冠-5 苯甲酸及其衍生物 红外光谱 CNDO/2 2, 4-diketo 16-C-5 benzoic acid and its derivatives hvdrogen bond infrared spectra CNDO/2 O621.2 1992-03-01 2021-04-01 3