火炸药学报2016，Vol.39Issue(4)：32-36,5.DOI:10.14077/j.issn.1007-7812.2016.04.006
六烯丙基六氮杂异伍兹烷的核磁表征
NMR Characterization of Hexaallylhexaazaisowurtzitane
摘要
Abstract
To precisely characterize the chemical structure of hexaallylhexaazaisowurtzitane (HAIW) ,the NMR spectrum characteristics of HAIW in chloroform‐d (CDCl3 ) and acetone‐d6 solution were studied ,and 1D ,2D 1 H NMR ,13C NMR and 15N NMR techniques were used for the assignment of all the NMR signals .The computer fit‐ting of hydrogen spectrum was performed by NMR simulation software NMR‐SIM .The results indicate that the 1 H NMR spectra obtained in acetone‐d6 solution show better resolution ,in which there are two kinds of signals for pro‐tons in hexaazaisowurtzitane and two kinds of signals for allylic protons .The limited rotation of four allyls bonded to the five‐membered ring and the free rotation of two allyls bonded to the six‐membered ring make asymmetric methylene protons reveal two sets of peaks and symmetric methylene proton coincidence reveal one set of peak ,re‐spectively .The existence of multiple coupling of two kinds of allyls causes the 1 H NMR spectral line more compli‐cate .1 H NMR spectra obtained by fitting the hydrogen spectrum chemical shifts and coupling constants are consist‐ent with the experimental ones .The combination of 2D NMR techniques and NMR simulation can be used to accu‐ratly analyze the complex spectral analysis .关键词
分析化学/六烯丙基六氮杂异伍兹烷/H A IW/表征/核磁共振/模拟谱Key words
analytical chemistry/hexaallylhexaazaisowurtzitane/HAIW/characterization/NMR/spectral simulation分类
军事科技引用本文复制引用
张丽涵,王民昌,徐敏,陈智群,张皋,潘清,廉鹏..六烯丙基六氮杂异伍兹烷的核磁表征[J].火炸药学报,2016,39(4):32-36,5.基金项目
国防科工局技术基础计量项目 （）
