波谱学杂志 ›› 2008, Vol. 25 ›› Issue (3): 355-362.

• 研究论文 • 上一篇    下一篇

一种脒基碳酸氢盐的NMR研究

王琳; 刘季红; 乔卫红*; 徐宁   

  1. (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)
  • 收稿日期:2007-08-14 修回日期:2007-09-18 出版日期:2008-09-05 发布日期:2009-12-05
  • 通讯作者: 王琳

NMR Studies on an Amidinium Bicarbonate Salt

WANG Lin; LIU Ji-hong; QIAO Wei-hong*; XU Ning   

  1. (State Key Laboratory of Fine Chemicals Dalian University of Technology, Dalian 116012, China)
  • Received:2007-08-14 Revised:2007-09-18 Online:2008-09-05 Published:2009-12-05
  • Contact: WANG Lin

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:A[E, Z]和B[E, 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.

关键词: NMR, 脒基碳酸氢盐, 溶剂, 构型

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, A[E, Z] and B[E, E], and the portion of B[E, E] isomer increased with the temperature. Only the A[E, Z] isomer existed in the DMSO-d6 solution.

Key words: nuclear magnetic resonance, amidinium bicarbonate, solvent, configuration

中图分类号: