MECHANISM OF PESTICIDE BY SOIL ORGANIC MATTER

阿特拉津是一种重要的农业除草剂， 玉米和高粱的种植。 这个实验是为了研究 协同氢键和氢键势 CF 3标记的阿特拉津。 提出了一种非线性优化方法 从核磁共振化学谱中找到阿特拉津的二聚常数 它的四个NH质子的位移。 NH质子识别出四种活性 通过合作联合成对相互作用以形成 总共10个氢键二聚体。 假设每个活动站点 具有与其化学势相关的部分二聚常数， 和部分常数被用来开发方程拟合 化学位移数据的协同二聚化模型。 部分 二聚常数成对相乘以获得 10种莠去津二聚体中每一种的二聚常数。 我们将运行 CF 3-莠去津在CCl 4中的19 F-NMR（5 mm管），含有以下物质 浓度为0.71 mM至4.5 mM的有机络合剂： 乙酸（HOAC）、吡咯烷（CNH）、环戊酮（CP）、吡咯 （PYRR），二甲基亚砜（DMSO），丙酮（ACE），苯酚（PHEN）， 乙醇（EtOH）和乙酸甲酯（MEAC）。

Atrazine is an important agriculture herbicide for weed control in the cultivation of corn and sorghum. This experiment is to study the cooperative hydrogen bonding and hydrogen bonding potential of CF3-labeled atrazine. A nonlinear optimization procedure is developed to find the dimerization constants of atrazine from the NMR chemical shifts of four of its NH protons. The NH protons identify four active sites which interact pairwise by cooperative association to form a total of 10 hydrogen-bonded dimers. Each active site is assumed to have a partial dimerization constant related its chemical potential, and the partial constants are used to develop equations which fit the chemical shift data to a cooperative dimerization model. The partial dimerization constants are multiplied together pairwise to obtain the dimerization constant for each of the 10 atrazine dimers. We will run 19F-NMR (5mm Tube) of CF3-atrazine in CCl4 containing the following organic complexing agents at concentrations from 0.71 mM to 4.5 mM: acetic acid (HOAC), pyrrolidine (CNH), cyclopentanone (CP), pyrrole (PYRR), dimethyl sulfoxide (DMSO), acetone (ACE), phenol (PHEN), ethanol (EtOH), and methyl acetate (MEAC).