Chem. J. Chinese Universities ›› 1991, Vol. 12 ›› Issue (9): 1238.

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A Quantum Chemistry Study of Fast Atom Bomb Positive Ion in Mass Spectrum of Glyccrol

Quo Chun-xiao1, Meng Qing-bo2, Liu Shu-ying2   

  1. 1. Department of Chemistry, Jilin University, Changchun, 130023;
    2. Changchun Institute of Applied Chemistry, Academia Sinica, Changchun
  • Received:1990-03-10 Online:1991-09-24 Published:1991-09-24

Abstract: MNDO method has been applied to compute protorration energy, heat of formation, struc turc parameters and decomposition barrics of metastable ions for the prominent positive ions in the FABmass spectrum of glyccroi. The mechanism of quasi-molecuar ion of glycerol tossing two H2O mole-cales have been studied. The product ion C3H5O+is predicted to possess two different structures.

Key words: MNDO, Fast Atom Bomb(FAB), Protonation

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