Theoretical and Experimental 31P NMR and ESI-MS Study of Hg2+ Binding to Fenitrothion

Bulletin of the Korean chemical society

Dildar Ali¹  Gary W vanLoon¹  In Sun Koo¹  Erwin Buncel¹  Kiyull Yang¹ 

关键词: Fenitrothion (FN);    31P NMR chemical shift;    Electrospray ionization mass spectrometry (ESIMS);    Density functional theory (DFT);    Hg2+-FN complex;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

We present the theoretical and experimental results of 31P NMR and low energy CID MS/MS study of Hg2+ binding to fenitrothion (FN). The calculated 31P NMR chemical shifts order for FN with Hg2+ complex is in good agreement with experimental 31P NMR chemical shifts order. The experimental and theoretical 31P NMR study of organophosphorus pesticide with Hg2+ gives to important information for organophosphorus pesticide metal complexes. ESI-MS and low energy CID MS/MS experiments of Hg2+-FN complexes combined with accurate mass measurements give insight into the metal localization and allow unambiguous identification of fragments and hydrolysis products.

【 授权许可】

Unknown