Chemical Research in Chinese Universities ›› 1995, Vol. 11 ›› Issue (3): 202-205.

• Articles • Previous Articles     Next Articles

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

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