Acta Chimica Sinica ›› 2002, Vol. 60 ›› Issue (1): 121-128. Previous Articles     Next Articles

Original Articles

[Co(3,3-tri)(ibn)Cl]^2^+异构体的2DNMR及其分布规律的研究

袁勋模;祝黔江;陶朱;张建新   

  1. 贵州大学应用化学研究所;贵州省天然产物重点化学实验室
  • 出版日期:2002-01-15 发布日期:2002-01-15

Study on 2D NMR spectra and product distribution of the geometric isomers in [Co(3, 3-tri)(ibn)Cl]^2^+ system

YUAN XUNMO;ZHU QIANJIANG;TAO ZHU;ZHANG JIANXIN   

  • Online:2002-01-15 Published:2002-01-15

The configurations of the four geometric mer-isomers in a new [Co(3, 3-tri)(ibn)Cl]^2^+(3, 3-tri=N-(3-aminoethyl)-1, 3-propanediamine; ibn=1, 2-diamino-2-methylpropane) system were assigned by using 2D NMR techniques such as gCOSY and NOESY. Solvent used was Me~2So=d~6 with the central peak of the CD~3 septet as the reference (^1^3C, δ39.37; ^1H, δ2.49 relative to SiMe~4). Comparing to the eluates from the chromatographic column, cation exchange media used was Dowex 50 W×2 (H^+ form, 200~400 mesh; Biorad), the first band contains the m2, the second band contains the m4, the third band contains the m1, the fourth band contains the m3 and the last band contains the f3. An ab initio computational result (RHF/LANL2DZ level) suggests why the facial isomer has been isolated and the distribution of the four mer-isomers is not different from those of [Co(2, 2-tri)(diamine)Cl]^2^+.

Key words: COBALT COMPLEX, OXAZOLE P, AB INITIO CALCULATION, REGULARITIES OF DISTRIBUTION, ISOMER

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