Theoretical chemical characterization of phosphate‐metal–humic complexes and relationships with their effects on both phosphorus soil fixation and phosphorus availability for plants

作者: Oscar Urrutia , Iñaki Guardado , Javier Erro , Marcos Mandado , José M García-Mina

DOI: 10.1002/JSFA.5756

关键词:

摘要: BACKGROUND: Previous studies showed that phosphate can be complexed by humic acids (HA) through stable metal (M) bridges (PMHA). We studied the thermodynamic properties of PMHA and their relationships with ability to both decrease soil P fixation increase availability for plants. With this aim, we theoretical stability PFeHA, PAlHA PCaHA molecular modelling methods in relation degree intensity absorption soils plants take up P. RESULTS: A density functional theory (DFT) quantum chemical study enabled us obtain structures three complexes water solution. The stabilities (ΔG0) were consistent apparent obtained Scatchard method, PFeHA ≥ > PCaHA, though differences clearer DFT method. Also reduction release from presence an anionic resin confirmed order different PMHA. Plant diverse plant species PMHA. CONCLUSION: results indicated potential efficiency PMHA-based fertilizers optimize fertilization crops cultivated high ability. Copyright © 2012 Society Chemical Industry

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