Atrazine is a common herbicide used extensively in the United States and Australia, and is an example of a synthetic, halogenated compound that is introduced into the environment on an industrial scale. Anthropogenic, halogenated compounds can have negative effects on the ecology of the area. Atrazine can mimic estrogen and has been linked to the decline of frog populations. Pseudomonas aeruginosa has evolved an enzymatic pathway to catabolize atrazine wherein the first step utilizes atrazine chlorohydrolase (AtzA), an iron(II) containing enzyme, to cleave the C-Cl bond via hydrolysis. To better understand the role of iron in the substrate specificity of this enzyme and to explore reactivity trends of other first row transition metals, 3,5-disubstituted pyrazole, trispyrazolylborate (Tp) ligands were synthesized and complexed with iron, copper, and nickel. These complexes were characterized using UV-vis spectroscopy and NMR spectroscopy. The ligand-metal complexes were reacted with halogenated pyridine and halogenated aniline compounds, which are structurally similar to atrazine, to examine metal-chlorine interactions in substrate binding.

Synthesis and NMR characterization of trispyrazolylborate iron, copper, and nickel halogenated pyridine complexes

Macromolecular Chemistry: The Second Century

[Author Benefits](https://scimeetings.acs.org/?utm_source=pubs_content_marketing&utm_medium=website&utm_campaign=0320_MCF_NPI_Launch_Spring_Homepage&ref=pubs_content_marketing)

[How to use SciMeetings](https://storage.googleapis.com/dl.morressier.com/acs/SciMeetings-ACSSpring2020-HowToGuide_M3020-Final.pdf)

[Frequently Asked Questions](https://storage.googleapis.com/dl.morressier.com/acs/SciMtng_ACSNMSp2020_FAQ_M3120_Final.pdf)

ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.