高等学校化学学报

高等学校化学学报 ›› 1993, Vol. 14 ›› Issue (12): 1740.

• 研究简报 • 上一篇    下一篇

三-(2-甲基氮丙啶)氧化膦异构体的核磁共振和量子化学研究

华士英1, 郭纯孝1, 罗魁德2, 高新凤3   

  1. 1. 吉林大学理论化学研究所化学系, 长春 130023;
    2. 航空航天部第九设计院;
    3. 中国科学院长春应用化学研究所
  • 收稿日期:1993-01-12 修回日期:1993-03-22 出版日期:1993-12-24 发布日期:1993-12-24
  • 通讯作者: 华士英, 女, 50岁, 副教授.
  • 作者简介:华士英, 女, 50岁, 副教授.

NMR and Quantum Chemical Studies of Tri(2 methyl 1-aziridinyl) Phosphine Oxide Isomers

HUA Shi-Ying1, GUO Chun-Xiao1, LUO Kui-De GAO2, Xin-Feng3   

  1. 1. Institute of Theoretical Chemistry, Department of Chemistry, Jilin University, Changchun, 130023;
    2. 9th Rese.Institute of Astronautical Ministry;
    3. Changchun Institute of Appl.Chem., Academia Sinica
  • Received:1993-01-12 Revised:1993-03-22 Online:1993-12-24 Published:1993-12-24

PDF (PC)

关键词: 三-(2-甲基氮丙啶)氧化膦, 异构体, 核磁共振

Abstract: 1H, 13C, 15N, 31Pand 17O NMRspectra of tri(2-methyl-1-aziridinyl) phosphine oxide were studied and simulated.The quantum chemical calculations on this compound were also carried out by AMIprogram.The optimized results show that there exist four kinds of isomers for the compound, two of them are enantiomer, and their geometrical configurations were obtained.

Key words: Tri(2-methyl-1-aziridinyl) phosphine oxide, Isomers, NMR

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