Structural characterization of anion-calcium-humate complexes in phosphate-based fertilizers

ChemSusChem

Volumn 6, Issue 7, 2013, Pages 1245-1251

  Baigorri, Roberto ^a   Urrutia, Oscar ^a   Erro, Javier ^a   Mandado, Marcos ^b   Pérez Juste, Ignacio ^b   Garcia Mina, José María ^a,c  

^a R and D Department   (Spain)

^b UNIVERSITY OF VIGO   (Spain)

^c UNIVERSITY OF NAVARRA   (Spain)

Author keywords

computational chemistry; density functional theory; fertilizers; NMR spectroscopy; phosphate

Indexed keywords

ATOMIC PHYSICS; CALCIUM; CALCIUM PHOSPHATE; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; FERTILIZERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHOSPHATES; SULFUR COMPOUNDS;

BIOAVAILABLE PHOSPHORUS; COMPLEX FERTILIZER; HUMIC SUBSTANCES; PHOSPHATE LIGANDS; RELATIVE STRENGTH; SINGLE SUPERPHOSPHATE; STRUCTURAL CHARACTERIZATION; TRIPLE SUPERPHOSPHATES;

PHOSPHATE FERTILIZERS;

CALCIUM; FERTILIZER; HUMIC SUBSTANCE; PHOSPHATE;

CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HUMIC SUBSTANCE; ARTICLE; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

CALCIUM; FERTILIZERS; HUMIC SUBSTANCES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHOSPHATES;

COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; FERTILIZERS; NMR SPECTROSCOPY; PHOSPHATE;

EID: 84879928424     PISSN: 18645631     EISSN: 1864564X     Source Type: Journal    
DOI: 10.1002/cssc.201300024     Document Type: Article

References (26)

1. D. L. Sparks, Environmental Soil Chemistry, Academic Press, San Diego, 1995.
2. D. R. Lovley, J. D. Coates, E. L. Blunt-Harris, E. J. P. Phillips, J. C. Woodward, Nature 1996, 382, 445-448.
3. F. J. Stevenson, Humus Chemistry: Genesis, Composition, Reactions, Wiley, New York, 1994.
4. L. Allievi, A. Marchesini, C. Salardi, V. Piano, A. Ferrari, Bioresour. Technol. 1993, 43, 85-89.
5. R. M. Atiyeh, S. Subler, C. A. Edwards, J. Metzger, Pedobiologia 1999, 43, 724-728.
6. A. Marchesini, L. Allievi, E. Comotti, A. Ferrari, Plant Soil 1988, 106, 253-261.
7. J. Erro, O. Urrutia, R. Baigorri, P. Aparicio-Tejo, I. Irigoyen, F. Torino, M. Mandado, J. C. Yvin, J. M. Garcia-Mina, J. Agric. Food Chem. 2012, 60, 2008-2017.
8. J. Gerke, U. Meyer, W. Römer, Z. Pflanzenernaehr. Bodenk. 1995, 158, 261-268.
9. I. Guardado, O. Urrutia, J. M. Garcia-Mina, J. Agric. Food Chem. 2007, 55, 408-413.
10. I. Guardado, O. Urrutia, J. M. Garcia-Mina, J. Agric. Food Chem. 2008, 56, 1035-1042.
11. O. Urrutia, I. Guardado, J. Erro, M. Mandado, J. M. García-Mina, J. Sci. Food Agric. 2013, 93, 293-303.
12. Z. He, C. W. Honeycutt, B. Xing, R. W. McDowell, P. J. Pellechia, T. Zhang, Soil Sci. 2007, 172, 501-515.
13. G. P. Holland, S. K. McIntyre, T. M. Alam, Biophys. J. 2006, 90, 4248-4260.
14. J. Riggle, R. von Wandruszka, Talanta 2007, 73, 953-958.
15. M. Khalaf, S. D. Kohl, E. Klumpp, J. A. Rice, E. Tombacz, Environ. Sci. Technol. 2003, 37, 2855-2860.
16. W. P. Rothwell, J. S. Waugh, J. P. Yesinowski, J. Am. Chem. Soc. 1980, 102, 2637-2643.
17. D. D. Laws, H.-M. L. Bitter, A. Jerschow, Angew. Chem. 2002, 114, 3224-3259
18. Angew. Chem. Int. Ed. 2002, 41, 3096-3129.
19. http://www.ihss.gatech.edu/soilhafa.html
20. M. Mora, R. Baigorri, E. Bacaicoa, A. M. Zamarreno, J. M. Garcia-Mina, Environ. Exp. Bot. 2012, 76, 24-32.
21. Gaussian 09, Revision A.1, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, D. J. Fox, Gaussian, Inc., Wallingford CT, 2009.
22. S. Miertuš, E. Scrocco, J. Tomasi, Chem. Phys. 1981, 55, 117-129.
23. E. Rezabal, J. M. Mercero, X. Lopez, J. M. Ugalde, J. Inorg. Biochem. 2006, 100, 374-384.
24. M. Mandado, M. N. D. S. Cordeiro, J. Comput. Chem. 2010, 31, 2735-2745.
25. F. H. Allen, Acta Crystallogr. Sect. B 2002, 58, 380-388.
26. G. Maclennan, C. A. Beevers, Acta Crystallogr. 1956, 9, 187-190.