Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Theoretical and Experimental 31P NMR and ESI-MS Study of Hg2+ Binding to Fenitrothion

  • Koo, In-Sun (Department of Chemistry Education and Research Institute of Natural Science, Gyeongsang National University) ;
  • Ali, Dildar (Department of Chemistry, Queen’s University) ;
  • Yang, Ki-Yull (Department of Chemistry Education and Research Institute of Natural Science, Gyeongsang National University) ;
  • vanLoon, Gary W. (Department of Chemistry, Queen’s University) ;
  • Buncel, Erwin (Department of Chemistry, Queen’s University)
  • Published : 2009.06.20
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Abstract

We present the theoretical and experimental results of $^{31}P$ NMR and low energy CID MS/MS study of $Hg^{2+}$ binding to fenitrothion (FN). The calculated $^{31}P$ NMR chemical shifts order for FN with $Hg^{2+}$ complex is in good agreement with experimental $^{31}P$ NMR chemical shifts order. The experimental and theoretical $^{31}P$ NMR study of organophosphorus pesticide with $Hg^{2+}$ gives to important information for organophosphorus pesticide metal complexes. ESI-MS and low energy CID MS/MS experiments of $Hg^{2+}$-FN complexes combined with accurate mass measurements give insight into the metal localization and allow unambiguous identification of fragments and hydrolysis products.

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