Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Casilla de Correo 16, Sucursal 4, 1900 La Plata, Argentina.
J Phys Chem A. 2010 Dec 16;114(49):12845-50. doi: 10.1021/jp106035m. Epub 2010 Nov 18.
The laser flash photolysis technique (λ(exc) = 266 nm) was used to investigate the mechanism of the HgCl(2) reduction mediated by CO(2)(·-) radicals in the temperature range 291.7-308.0 K. For this purpose, the CO(2)(·-) radicals were generated by scavenging of sulfate radicals by formic acid. The absorbance of the reduced radical of methyl viologen, a competitive scavenger of CO(2)(·-), was monitored at 390 nm. Moreover, theoretical calculations, including solvent effects, were also performed within the framework of the density functional theory for various chemical species of Hg(I) and Hg(II) to aid in the modeling of the reaction of reduction of HgCl(2) by CO(2)(·-).
采用激光闪光光解技术（λ（激发）= 266nm），在 291.7-308.0 K 的温度范围内，研究了 CO（2）（·-）自由基介导的 HgCl（2）还原的反应机理。为此，通过甲酸清除硫酸盐自由基来生成 CO（2）（·-）自由基。在 390nm 处监测作为 CO（2）（·-）自由基竞争清除剂的甲紫精的还原自由基的吸光度。此外，还在密度泛函理论的框架内进行了包括溶剂效应在内的理论计算，用于各种 Hg（I）和 Hg（II）化学物种，以辅助 CO（2）（·-）还原 HgCl（2）反应的建模。
