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高等学校化学研究 ›› 1995, Vol. 11 ›› Issue (3): 202-205.

• Articles • 上一篇    下一篇

An Explanation on the Electron Ionization Mass Spectra of Crown Ethers by MNDO Computational Method

YUAN Hu-shan1, TANG Ming-sheng1, WU Yang-jie1, TU Ya-ping2, MA Fu-qin2   

  1. 1. Chemistry Department, Zhengzhou University, Zhengzhou, 450052;
    2. Test Center, Zhengzhou University, Zhengzhou, 450052
  • 收稿日期:1994-12-01 出版日期:1995-08-24 发布日期:2011-08-17

An Explanation on the Electron Ionization Mass Spectra of Crown Ethers by MNDO Computational Method

YUAN Hu-shan1, TANG Ming-sheng1, WU Yang-jie1, TU Ya-ping2, MA Fu-qin2   

  1. 1. Chemistry Department, Zhengzhou University, Zhengzhou, 450052;
    2. Test Center, Zhengzhou University, Zhengzhou, 450052
  • Received:1994-12-01 Online:1995-08-24 Published:2011-08-17

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摘要： The bond lengths and bond orders of four kinds of chemical bonds in crownethers(15) were calculated based on the model molecules using MNDO method.With the calculation results, some predictions to the EImass spectral fragmenta-tion behaviour of crown ethers are suggested.The EI mass spectra of studied crownethers are in satisfactory agreenient with the predictions.

关键词: Crown ether, MNDO method, EI mass spectra

Abstract: The bond lengths and bond orders of four kinds of chemical bonds in crownethers(15) were calculated based on the model molecules using MNDO method.With the calculation results, some predictions to the EImass spectral fragmenta-tion behaviour of crown ethers are suggested.The EI mass spectra of studied crownethers are in satisfactory agreenient with the predictions.

Key words: Crown ether, MNDO method, EI mass spectra