高岭土与针铁矿胶结样中^(27)Al、^(29)Si NMR谱与其原子电荷关系  

THE RELATION BETWEEN THE ^(27)Al,^(29)Si NMR SPECTRA OF THE ARTIFICIALLY-CEMENTED SPECIMEN OF KAOLINITE WITH GOETHITE AND THEIR ATOMIC CHARGE

作　　者：李锦恩[1] 程昌炳[2] 陈琼[1] 周良忠[3] 

机构地区：[1]武汉大学化学系,武汉430072 [2]中国科学院武汉岩土力学研究所,武汉430071 [3]中国人民解放军后勤工程学院,重庆630042

出　　处：《波谱学杂志》1997年第3期241-244,共4页Chinese Journal of Magnetic Resonance

基　　金：国家自然科学基金!19372075

摘　　要：由NMR谱实验得高岭土与针铁矿胶结样中27Al、29Si的化学位移较单一高岭土分别正移了2．7ppm和2．33ppm．由CNDO／2方法计算得到胶结样中Al、Si原子电行比高岭土分别减少了0．0787和0．0286．胶结样中Al、Si原子电荷的减少与27Al、29SiNMR谱化学位移相吻合，可以认为在高岭土与外铁矿的界面上形成了氢键而呈现胶结态．The 27Al, 29Si chemical shifts in the artificially - cemented specimens of kaolinite with goethite are, according to the NMR experiments, greater than those in pure kaolinite respectively by 2.7ppmand 2.33ppm. The atomic charges in the same artificially - cemented specimens are, on the basis of the computation results of CNDO/2 method, less than those in pure kaolinite respectively by 0.0787 and 0.0286. The changes of the atomic charges agree with those of 27Al, 29Si chemical shifts. It has been considered that there are hydrogen bonds between kaolinite and geothite and they are in cemented state.

关 键 词：高岭土 针铁矿 胶结作用 NMR谱 原子电荷 

分 类 号：P578.965[天文地球—矿物学] P575.9[天文地球—地质学]