| 具有分子取向的拉伸高聚物(PET)中13C-NMR化学位移值的估算 |
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| 引用本文： | 王国珥,许肖龙.具有分子取向的拉伸高聚物(PET)中13C-NMR化学位移值的估算[J].波谱学杂志,1991,8(2):139-146. |
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| 作者姓名： | 王国珥 许肖龙 |
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| 作者单位： | 中国科学院武汉物理研究所波谱与原子分子物理开放实验室 |
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| 摘 要： | 本文从已知的聚对苯二甲酸乙二醇酯(PET)的X-射线原子坐标和化学位移张量主值出发,计算了拉伸的PET样品,相对于外磁场不同放置方位下的13C-NMR谱峰的化学位移值,很好地解释了实验结果,并得到了拉伸条件下,高聚物中分于取向的信息。
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| 关 键 词： | PET NMR 化学位移值 分子取向 |
| 收稿时间： | 1990-05-11 |
PREDICTION OF 13C-NMR CHEMICAL SHIFTS FOR MOLECULAR ORIENTATED SOLID POLY (ETHYLENE TEREPHTHALATE) |
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| Wang Guoxi,Xu Xiaolong,Wang Dehua.PREDICTION OF 13C-NMR CHEMICAL SHIFTS FOR MOLECULAR ORIENTATED SOLID POLY (ETHYLENE TEREPHTHALATE)[J].Chinese Journal of Magnetic Resonance,1991,8(2):139-146. |
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| Authors: | Wang Guoxi Xu Xiaolong Wang Dehua |
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| Institution: | Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics, Academia Sinica |
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| Abstract: | Based on the atomic coordinates determinated by X-ray diffraction and the principal values of 13C-NMR chemical shifts, we introduced an approach to calculate the chemical shifts of orientated PET. The direction of drawing axis of PET was parallel to the direction of magnetic field. The calculated results fit the experimental data very well. Thus, we get the conclusion that the main direction of molecular chain is parallel to the drawing axis. |
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| Keywords: | PET NMR |
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