Elucidating the spectroscopic and physicochemical properties for a pH-dependent glyphosate structure from a computational perspective

Glyphosate is the most widely used broad-spectrum agrochemical, particularly due to its non-selective action mechanism. However, there are concerns regarding its use and possible threat to aquatic and terrestrial lifeforms and the environment. This article aims to better understand the effect of pH on the structural, spectroscopic, and physicochemical properties of glyphosate-based structures, as well as its degradation and respective intermediates.