UMP2 method was performed to study the reaction mechanism of CH2 with HNCO.The geometrical configurations of reactants,intermediates,transition states and products were optimized by UMP2 method at the 6-311++G（d,p）l...UMP2 method was performed to study the reaction mechanism of CH2 with HNCO.The geometrical configurations of reactants,intermediates,transition states and products were optimized by UMP2 method at the 6-311++G（d,p）level.The energies of stationary points along the pathways were calculated at QCISD（T）/6-311++G（d,p）.Intermediates and transition states were confirmed by the results of vibration analysis and IRC calculation.From the results of the reaction mechanism of CH2 with HNCO,it is shown that in this reaction there exist three pathways,which are CH2（S）+HNCO→IM1→TS1→CH3+NCO;CH2（S）+HNCO→IM2→TS2→CH2CONH,CH2（T）+HNCO→IM3→TS3→CH2NH+CO,and CH2（T）+HNCO→IM3→TS3→CH2NH+CO.展开更多
Chloride ion was determined by the resonance light scattering method.The results showed the RLS intensity of the blank solution was faint.While chloride ion was added,the RLS intensity enhanced quickly and was proport...Chloride ion was determined by the resonance light scattering method.The results showed the RLS intensity of the blank solution was faint.While chloride ion was added,the RLS intensity enhanced quickly and was proportional to the concentration of choloride ions.The assay is simple,rapid and sensitive with the linear range up to 14.0 μg/mL and the detection limit at 0.04 μg/mL.The recoveries of the method found to be in the range of 98.7%—102% with RSD between 1.1% and 2.2%.This assay was applied to the determination of chloride ions in acid copper plating bath and in tap water,and the results were satisfactory.展开更多
文摘UMP2 method was performed to study the reaction mechanism of CH2 with HNCO.The geometrical configurations of reactants,intermediates,transition states and products were optimized by UMP2 method at the 6-311++G（d,p）level.The energies of stationary points along the pathways were calculated at QCISD（T）/6-311++G（d,p）.Intermediates and transition states were confirmed by the results of vibration analysis and IRC calculation.From the results of the reaction mechanism of CH2 with HNCO,it is shown that in this reaction there exist three pathways,which are CH2（S）+HNCO→IM1→TS1→CH3+NCO;CH2（S）+HNCO→IM2→TS2→CH2CONH,CH2（T）+HNCO→IM3→TS3→CH2NH+CO,and CH2（T）+HNCO→IM3→TS3→CH2NH+CO.
文摘Chloride ion was determined by the resonance light scattering method.The results showed the RLS intensity of the blank solution was faint.While chloride ion was added,the RLS intensity enhanced quickly and was proportional to the concentration of choloride ions.The assay is simple,rapid and sensitive with the linear range up to 14.0 μg/mL and the detection limit at 0.04 μg/mL.The recoveries of the method found to be in the range of 98.7%—102% with RSD between 1.1% and 2.2%.This assay was applied to the determination of chloride ions in acid copper plating bath and in tap water,and the results were satisfactory.
