改性二氧化硅纳米颗粒对镉和铅吸附的扩展X射线吸收精细结构及密度泛函理论研究
EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles.
作者信息
Arce Valeria B, Gargarello Romina M, Ortega Florencia, Romañano Virginia, Mizrahi Martín, Ramallo-López José M, Cobos Carlos J, Airoldi Claudio, Bernardelli Cecilia, Donati Edgardo R, Mártire Daniel O
机构信息
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), CCT-La Plata-CONICET, Universidad Nacional de La Plata, Diag 113 y 64, 1900 La Plata, Argentina; Centro de Investigaciones Ópticas (CIOp), CONICET La Plata-CIC, CC 3, 1897 Gonnet, La Plata, Argentina.
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), CCT-La Plata-CONICET, Universidad Nacional de La Plata, Diag 113 y 64, 1900 La Plata, Argentina.
出版信息
Spectrochim Acta A Mol Biomol Spectrosc. 2015 Dec 5;151:156-63. doi: 10.1016/j.saa.2015.06.093. Epub 2015 Jun 24.
Silica nanoparticles of 7 nm diameter were modified with (3-aminopropyl) triethoxysilane (APTES) and characterized by CP-MAS (13)C and (29)Si NMR, FTIR, zeta potential measurements, and thermogravimetry. The particles were shown to sorb successfully divalent lead and cadmium ions from aqueous solution. Lead complexation with these silica nanoparticles was clearly confirmed by EXAFS (Extended X-ray Absorption Fine Structure) with synchrotron light measurements. Predicted Pb-N and Pb-C distances obtained from quantum-chemical calculations are in very good agreement with the EXAFS determinations. The calculations also support the higher APTES affinity for Pb(2+) compared to Cd(2+).
直径为7纳米的二氧化硅纳米颗粒用（3-氨丙基）三乙氧基硅烷（APTES）进行了改性，并通过交叉极化魔角旋转（CP-MAS）碳-13和硅-29核磁共振、傅里叶变换红外光谱、zeta电位测量和热重分析进行了表征。结果表明，这些颗粒能够成功地从水溶液中吸附二价铅和镉离子。通过同步辐射光扩展X射线吸收精细结构（EXAFS）测量，明确证实了铅与这些二氧化硅纳米颗粒的络合。从量子化学计算得到的预测铅-氮和铅-碳距离与EXAFS测定结果非常吻合。计算结果还支持APTES对铅离子（Pb(2+)）的亲和力高于镉离子（Cd(2+)）。
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