Cadmium （Cd） concentrations in the water extracts of ten contaminated soils by arsenic （As） with various iron （Fe） contents were measured using inductively coupled plasma atomic emission spectrometry （ICP-AES）...Cadmium （Cd） concentrations in the water extracts of ten contaminated soils by arsenic （As） with various iron （Fe） contents were measured using inductively coupled plasma atomic emission spectrometry （ICP-AES） and electrothermal atomic absorption spectrometry （ETAAS）, Due to the potential spectral interferences of As and Fe in the quantification of Cd, two methods were used for the background compensation. The first method was based on the use of a deuterium lamp （BGCD2 mode）. The second one required a Cd hollow cathode lamp pulsated with a current for which the intensity varies in the course of time （BGCSR mode）. The results showed that the choices of the analytical technique and the method used for the background compensation depend on the Cd, As and Fe concentrations in the solution and the concentration ratios As/Cd or/and Fe/Cd. In comparison with the ICP-AES and the ETAAS in combination with the BGCD2 mode, it was shown that the high-speed self-reversal method （HSSR） was a more appropriate method to correct As and Fe spectral interferences during the Cd measurements. On the other hand, depending on the Cd concentration, it was established that no significant Fe interference occurred during the Cd determination even if Fe concentration was 50 mg/L, reflecting the efficiency of the HSSR method to overcome the Fe interferences in the determination of Cd concentration by ETAAS without any matrix modifier in water extracts.展开更多
2,7′-（Ethylene）-bis-8-hydroxyquinoline was optimized with DFT/B3LYP and ab initio HF methods, so ion- ization potential and electron affinity could be determined. Absorption spectrum was calculated by ZINDO and TD-...2,7′-（Ethylene）-bis-8-hydroxyquinoline was optimized with DFT/B3LYP and ab initio HF methods, so ion- ization potential and electron affinity could be determined. Absorption spectrum was calculated by ZINDO and TD-DFT. CIS method was used to calculate the S1 excited states of the compound and afterwards the emission spectrum was computed. When the solvent effect was taken into account, the computed results show encouraging agreement with known experimental data. The results of analyzing the relationship between the energies and absorption spectra indicate that the ability to transporting electrons is strengthened compared with 8-hydroxyquinoline and that absorption and emission spectra are red-shifted. The intramoleeular reor- ganization energy of tris（2,7′-（ethylene）-bis-8-hydroxyquinoline）-aluminum implies its electron transporting property is worse than tris（8-hydroxyquinoline）-aluminum. The predicted maximum emission wavelength is red-shifted compared with tris（8-hydroxyquinoline）-aluminum.展开更多
文摘Cadmium （Cd） concentrations in the water extracts of ten contaminated soils by arsenic （As） with various iron （Fe） contents were measured using inductively coupled plasma atomic emission spectrometry （ICP-AES） and electrothermal atomic absorption spectrometry （ETAAS）, Due to the potential spectral interferences of As and Fe in the quantification of Cd, two methods were used for the background compensation. The first method was based on the use of a deuterium lamp （BGCD2 mode）. The second one required a Cd hollow cathode lamp pulsated with a current for which the intensity varies in the course of time （BGCSR mode）. The results showed that the choices of the analytical technique and the method used for the background compensation depend on the Cd, As and Fe concentrations in the solution and the concentration ratios As/Cd or/and Fe/Cd. In comparison with the ICP-AES and the ETAAS in combination with the BGCD2 mode, it was shown that the high-speed self-reversal method （HSSR） was a more appropriate method to correct As and Fe spectral interferences during the Cd measurements. On the other hand, depending on the Cd concentration, it was established that no significant Fe interference occurred during the Cd determination even if Fe concentration was 50 mg/L, reflecting the efficiency of the HSSR method to overcome the Fe interferences in the determination of Cd concentration by ETAAS without any matrix modifier in water extracts.
文摘2,7′-（Ethylene）-bis-8-hydroxyquinoline was optimized with DFT/B3LYP and ab initio HF methods, so ion- ization potential and electron affinity could be determined. Absorption spectrum was calculated by ZINDO and TD-DFT. CIS method was used to calculate the S1 excited states of the compound and afterwards the emission spectrum was computed. When the solvent effect was taken into account, the computed results show encouraging agreement with known experimental data. The results of analyzing the relationship between the energies and absorption spectra indicate that the ability to transporting electrons is strengthened compared with 8-hydroxyquinoline and that absorption and emission spectra are red-shifted. The intramoleeular reor- ganization energy of tris（2,7′-（ethylene）-bis-8-hydroxyquinoline）-aluminum implies its electron transporting property is worse than tris（8-hydroxyquinoline）-aluminum. The predicted maximum emission wavelength is red-shifted compared with tris（8-hydroxyquinoline）-aluminum.
