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Understanding the inactivation process of organophosphorus herbicides: A DFT study of glyphosate metallic complexes with Zn 2+ , Ca 2+ , Mg 2+ , Cu 2+ , Co 3+ , Fe 3+ , Cr 3+ , and Al 3+
Author(s) -
Caetano Melissa S.,
Ramalho Teodorico C.,
Botrel Douglas F.,
da Cunha Elaine F. F.,
de Mello Walclee Carvalho
Publication year - 2012
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.23222
Subject(s) - glyphosate , chemistry , metal , adsorption , phloem , nuclear chemistry , botany , agronomy , organic chemistry , biology
Abstract Glyphosate is the active component of one of the top‐selling herbicides, which is also a potent EPSP synthase inhibitor. The herbicide is absorbed by living tissue and translocated via the phloem, to plant roots and rhizomes. When applied directly into the soil it has low activity, due to the high adsorption by soil constituents. Understanding the specific interactions between metals in the soil and glyphosate is the main step in understanding the low activity of the herbicide when applied directly into the ground and not pulverized. We can observe there is a stability order for both tetrahedral and octahedral complexes between glyphosate and metals: Zn>Cu>Co>Fe>Cr>Al>Ca>Mg. © 2012 Wiley Periodicals, Inc.

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