| 一种脒基碳酸氢盐的NMR研究 |
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| 引用本文： | 王琳,刘季红,乔卫红,徐宁.一种脒基碳酸氢盐的NMR研究[J].波谱学杂志,2008,25(3):355-362. |
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| 作者姓名： | 王琳 刘季红 乔卫红 徐宁 |
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| 作者单位： | （大连理工大学 化工学院, 精细化工国家重点实验室, 辽宁 大连 116012） |
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| 摘 要： | 采用1H、13C NMR、同核相关谱(gCOSY)、异核相关谱(gHSQC)和远程偶合谱(gHMBC)等多种核磁方法研究了一种脒基碳酸氢盐化合物N, N′-双十二烷基乙脒基碳酸氢盐的结构和构型，证明了该化合物具有两种不同的构型：AE, Z]和BE, E]，完成了该化合物两种构型中1H、13C NMR谱带的归属. 并考察了不同温度、不同极性溶剂（CDCl3和DMSO-d6）对此化合物两种不同构型比例变化的影响. 表明了N, N′-双十二烷基乙脒基碳酸氢盐在溶剂CDCl3中存在两种构型A和B, 随着温度的升高，构型B的比例增加. 在溶剂DMSO-d6中只存在一种构型A.
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| 关 键 词： | NMR 脒基碳酸氢盐 溶剂 构型 |
| 收稿时间： | 2007-8-14 |
| 修稿时间： | 2007-9-18 |
NMR Studies on an Amidinium Bicarbonate Salt |
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| WANG Lin,LIU Ji-hong,QIAO Wei-hong,XU Ning.NMR Studies on an Amidinium Bicarbonate Salt[J].Chinese Journal of Magnetic Resonance,2008,25(3):355-362. |
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| Authors: | WANG Lin LIU Ji-hong QIAO Wei-hong XU Ning |
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| Institution: | (State Key Laboratory of Fine Chemicals Dalian University of Technology, Dalian 116012, China) |
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| Abstract: | The structure and configuration of N, N′-didodecylacetamidinium bicarbonate were determined by 1H-, 13C-, and various two dimensional nuclear magnetic resonance spectroscopy, including gCOSY (homonuclear correlation spectroscopy), gHSQC (1H-detected heteronuclear single quantum coherence) and gHMBC (1H-detected heteronuclear multiple-bond coherence). The 1H and 13C chemical shifts were assigned. Effects of temperature and solvents of different polarity (CDCl3 and DMSO-d6) on the ratio of different configuration were also investigated. The compound was shown to have two configurations in CDCl3, AE, Z] and BE, E], and the portion of BE, E] isomer increased with the temperature. Only the AE, Z] isomer existed in the DMSO-d6 solution. |
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| Keywords: | NMR |
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