Molecular structures of protonated and mercurated derivatives of thimerosal.

Molecular structures of protonated and mercurated derivatives of thimerosal.
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硫柳汞质子化和汞化衍生物的分子结构。

DOI:
10.1039/b823467a
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发表时间:
2009
期刊:
Dalton transactions (Cambridge, England : 2003)
影响因子:
--
通讯作者:
Parkin,Gerard
Parkin,Gerard
中科院分区:
--
文献类型:
--
作者:
Sattler,Wesley;Yurkerwich,Kevin;Parkin,Gerard

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硫柳汞的羧酸氧[(ArCO 2)SHgEt]Na容易受到H+和[HgEt]+的亲电攻击,分别得到(ArCO 2 H)SHgEt和[(ArCO 2 HgEt)SHgEt]2。X射线衍射表明,(ArCO 2 H)SHgEt在固态下以氢键二聚体形式存在,而[(ArCO 2 HgEt)SHgEt]2则是四核结构,汞中心之间通过羧基桥连。1H NMR光谱研究表明,(ArCO 2 H)SHgEt的乙基的199 Hg卫星的形式取决于磁场,使得内部的CH 2和CH 3卫星对在400 MHz处表现为单线态,这是由于2 JHg-H和3 JHg-H具有相反的符号并且中心CH 2和CH 3基团的化学位移差等于1/2。|2JHg-H−3JHg-H|}.
The carboxylate oxygen of thimerosal, [(ArCO2)SHgEt]Na, is subject to facile electrophilic attack by H+ and [HgEt]+ to give (ArCO2H)SHgEt and [(ArCO2HgEt)SHgEt]2, respectively. X-Ray diffraction demonstrates that (ArCO2H)SHgEt exists as a hydrogen bonded dimer in the solid state whereas [(ArCO2HgEt)SHgEt]2 is tetranuclear, with the mercury centers being connected by bridging carboxylate groups. 1H NMR spectroscopic studies indicate that the form of the 199Hg satellites of the ethyl group of (ArCO2H)SHgEt are dependent on the magnetic field, such that the inner pair of CH2 and CH3 satellites appear as a singlet at 400 MHz, as a consequence of 2JHg–H and 3JHg–H having opposite signs and the difference in chemical shifts of the central CH2 and CH3groups being equal to ½{|2JHg–H−3JHg–H|}.
有机汞化合物的核磁共振谱和结构
DOI: 10.1016/s0022-328x(00)84629-x
发表时间: 1974
影响因子: 2.3
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