Acta Chimica Sinica ›› 1994, Vol. 52 ›› Issue (3): 257-280. Previous Articles     Next Articles

Original Articles

有机磷酸酯农药分子的电子结构和生物活性

郭洪猷;任新刚;曹维良;王平;薛石雷;王作新   

  1. 北京化工学院应用化学系
  • 发布日期:1994-03-15

The electronic structures and biological activities of organic phosphate molecules

GUO HONGYOU;REN XINGANG;CAO WEILIANG;WANG PING;XUE SHILEI;WANG ZUOXIN   

  • Published:1994-03-15

The electronic structures of organic phosphate pesticide mols. have been calculated with CNDO/2 method. A new parameter CB is defind, which is the ratio of the net charge on atom P to the sum of bond orders of P = X and P-Y, the most weak ester bond in the mol. The CB values of mols. in the same series of organic phosphate can be used to characterize the electronic effects on the biol. activities of the mols. So that the relation of the biol. activities to the electronic structures of mols. was discussed on the basis of CB values.L

Key words: BIOLOGICAL ACTIVITY, ORGANO PHOSPHORUS COMPOUNDS, CNDO APPROXIMATION, ELECTRONIC STRUCTURE, PHOSPHATES

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