Structural Characterization of Anion-Calcium-Humate Complexes in Phosphate-based Fertilizers
Structural Characterization of Anion-Calcium-Humate Complexes in Phosphate-based Fertilizers
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DOI：
10.1002/cssc.201300024
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发表时间：
2013-07-01
期刊：
影响因子：
8.4
通讯作者：
Maria Garcia-Mina, Jose
中科院分区：
文献类型：
--
作者：
Baigorri, Roberto;Urrutia, Oscar;Maria Garcia-Mina, Jose
基于磷酸盐金属型烟酸络合物的肥料是一个新的化合物家族，代表了更可持续和可生物利用的磷来源。基于单个超磷酸（SSP）和三磷酸三磷酸盐（TSP）基质，通过在几种肥料中使用固体（PNMR）-P-31在几种肥料中使用固体（PNMR）-P-31来表征这种类型的复合物的表征表征这种类型的复员表征，基于单磷们（SSP）（SSP）和三重超们们的三重超们们）在） PNMR）-P-31峰。计算化学方法允许在SSP和TSP基质中表征磷酸盐 - 钙钙酸酯络合物，但也预测了SSP肥料中稳定的硫酸盐 - 豪糖酸盐配合物的形成，这尚未描述。通过使用超滤技术证实了该复合物的稳定性。 SSP中硫酸盐 - 金属相位的腐殖质偏爱可以解释SSP和TSP样品的实验（PNMR）-P-31光谱中观察到的相对趋势。此外，计算化学还提供了（PNMR）-P-31信号对不同磷酸盐配体的分配，以及有关晶体内磷酸盐 - 钙相互作用的相对强度的宝贵信息。
Fertilizers based on phosphate-metal-humate complexes are a new family of compounds that represents a more sustainable and bioavailable phosphorus source. The characterization of this type of complex by using solid (PNMR)-P-31 in several fertilizers, based on single superphosphate (SSP) and triple superphosphate (TSP) matrices, yielded surprising and unexpected trends in the intensity and fine structure of the (PNMR)-P-31 peaks. Computational chemistry methods allowed the characterization of phosphate-calcium-humate complexes in both SSP and TSP matrices, but also predicted the formation of a stable sulfate-calcium-humate complex in the SSP fertilizers, which has not been described previously. The stability of this complex has been confirmed by using ultrafiltration techniques. Preference towards the humic substance for the sulfate-metal phase in SSP allowed the explanation of the opposing trends that were observed in the experimental (PNMR)-P-31 spectra of SSP and TSP samples. Additionally, computational chemistry has provided an assignment of the (PNMR)-P-31 signals to different phosphate ligands as well as valuable information about the relative strength of the phosphate-calcium interactions within the crystals.