Journal of Tianjin Agricultural University ›› 2014, Vol. 21 ›› Issue (3): 32-36.

• Researches and Scientific Notes • Previous Articles     Next Articles

Quantum Chemistry Study on Hydrolysis Mechanism of Acephate Pesticide in Atmosphere

ZHU Hua-ling, Lü Li-juan, WEI Zhen, DING Jin-li   

  1. College of Basic Science, Tianjin Agricultural University, Tianjin 300384, China
  • Received:2014-04-09 Online:2014-09-20 Published:2019-10-21

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Abstract: A quantum chemistry calculation for the hydrolysis mechanism of acephate pesticide in atmosphere is performed using Gamess and wxMacmolplt programs with RHF/6-311G basis sets. The results show that there are four hydrolysis channels, which is C-N,P-O,P-N and P-S, respectively. In these hydrolysis channels, the C-N is the easiest one and the hydrolysis speed becomes faster as the temperature reducing.

Key words: acephate pesticide, hydrolysis mechanism, quantum chemistry study

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