| 三种(1,10-二甲氧基)-11-萘甲烷基醚的制备、表征及理论研究 |
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| 引用本文： | 孙定光,赵颖,梁晓琴,邓嘉莉,廖显威.三种(1,10-二甲氧基)-11-萘甲烷基醚的制备、表征及理论研究[J].西南民族学院学报(自然科学版),2004,30(4):429-433. |
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| 作者姓名： | 孙定光 赵颖 梁晓琴 邓嘉莉 廖显威 |
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| 作者单位： | 四川师范大学化学学院，四川师范大学化学学院，四川师范大学化学学院，四川师范大学化学学院，四川师范大学化学学院 成都 610066，成都 610066，成都 610066，成都 610066，成都 610066 |
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| 基金项目： | 国家自然科学基金资助项目(29874027)，四川省科教厅重点科研资助项目(2003A086) |
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| 摘 要： | 报导了标题化合物的制备，测定了标题化合物的核磁共振谱．并用HF/4-31G方法优化了三种化合物构型，在此基础上再用GMO从头计算方法计算了三种化合物的MNR谱，其结果与实验值符合较好，显然，NMR的量子化学计算可为确定化合物的结构提供一种新的工具。
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| 关 键 词： | （1，10-二甲氧基）-11-萘甲基烷基醚 制备 NMR GIAO |
| 文章编号： | 1003-2843(2004)04-0429-05 |
| 修稿时间： | 2004年3月26日 |
Preparation,characterization of and theoretical study of three kinds of (1,10-dimethoxy)-11-naphthmethyl alkyl ethers |
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| SUN Ding-guang,ZHAO Ying,LIANG Xiao-qin,DENG Jia-li,LIAO Xian-wei.Preparation,characterization of and theoretical study of three kinds of (1,10-dimethoxy)-11-naphthmethyl alkyl ethers[J].Journal of Southwest Nationalities College(Natural Science Edition),2004,30(4):429-433. |
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| Authors: | SUN Ding-guang ZHAO Ying LIANG Xiao-qin DENG Jia-li LIAO Xian-wei |
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| Abstract: | The preparation of the title compounds is reported in this paper. The NMR spectra of these compounds have been obtained. The geometries of the three compounds have been optimized by HF/4-31G method. On this basis, the MNR spectra of the three compounds have been calculated by GIAO ab initio method. The calculated results are fundamentally consistent with the experimental values. Apparently, quantum chemistry calculation of NMR may present a new means to determine the structures and geometries of compounds. |
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| Keywords: | (1 10-dimethoxy)-11 -naphthmethyl alkyl ethers preparation NMR GIAO |
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