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有机化学
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有机化学 ›› 2004, Vol. 24 ›› Issue (6): 641-644. 上一篇    下一篇

研究论文

N,N-二(2-苯并咪唑亚甲基)甲胺高氯酸盐的晶体和电子结构

刘小兰*,a, 孙云a, 陈克b, 冷雪冰c, 宋海斌c   

  1. a天津师范大学化学与生命科学学院 天津 300074
    b天津市医药职工大学 天津 300142
    c南开大学化学学院 天津 300071
  • 收稿日期:2003-07-17 修回日期:2003-10-31 接受日期:2003-12-25 发布日期:2022-09-21
  • 通讯作者: *E-mail: liuxiaolan@eyou.com
  • 基金资助:
    天津市教委自然科学基金(No. 97202)资助项目.

Crystal and Electronic Structure of N,N-Bis-(benzimidazol-2-ylmethyl)-methylamine Perchlorate

LIU, Xiao-Lan*,a, SUN, Yuna, CHEN, Keb, LENG, Xue-Bingc, SONG, Hai-Binc   

  1. a College of Chemistry and Life Science, Tianjin Normal University, Tianjin 300074
    b Tianjin Adult Pharmaceutical College, Tianjin 300142
    c College of Chemistry, Nankai University, Tianjin 300071
  • Received:2003-07-17 Revised:2003-10-31 Accepted:2003-12-25 Published:2022-09-21

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合成了三齿配体N,N-二(2-苯并咪唑亚甲基)甲胺(MN3)的高氯酸盐.对该化合物进行了元素分析、紫外和红外表征;采用X射线衍射方法测定了该化合物的晶体结构,依据晶体结构数据使用G98程序对配体(MN3)进行了量子化学计算.

关键词: 合成, 晶体结构, 电子结构, 量子化学计算, N,N-二(2-苯并咪唑亚甲基)甲胺

The perchlorate of trident ligand N,N-bis-(benzimidazol-2-ylmethyl)methylamine was synthesized and cha~rac~terized by means of elemental analysis, UV and IR spectroscopies. The crystal structure of N,N-bis-(ben~zi~mi~dazol-2-ylmethyl)methylamine perchlorate was determined by X-ray diffraction and the quantum chemical calculation performed by using G98 program.

Key words: synthesis, crystal structure, electronic structure, quantum chemistry calculation, N,N-bis-(ben~zi~mi~dazol-2-ylmethyl)methylamine