CAS: Collaborative Research: Ambient Polyvinyl Chloride (PVC) Upgrading Using Earth-Abundant Molecular Electrocatalysts

With support from the Chemical Structure, Dynamics & Mechanisms-B (CSDM-B) Program of the Chemistry Division, Jianbing Jiang of the Department of Chemistry at the University of Cincinnati, and Julien Panetier of the Department of Chemistry at Binghamton University are developing new catalysts to promote small molecule conversion and polyvinyl chloride upgrading. The goal of this research is to exploit the characteristics of transition metal complexes for the development of novel catalysts and study their activity with polyvinyl chloride from both an experimental and a computational standpoint. The project lies at the nexus of organometallic chemistry, materials, and computational chemistry and the collaborative research team is, therefore, well positioned to provide students with interdisciplinary education and training. Outreach activities involving the general public and underrepresented groups will also be part of the funded project. Polyvinyl chloride (PVC), the third-most-produced synthetic plastic polymer worldwide, is widely used in various industries and household applications. However, traditional PVC remediation and upgrading strategies require high energy inputs and generate environmentally hazardous chemical species, such as HCl. This project aims to explore earth-abundant molecular catalysts for the conversion of PVC into environmentally friendly and value-added polymers under ambient conditions. In this research project, the research team will (i) examine a rational combination of ligands and metal centers for the hydrodechlorination of alkyl C–Cl bonds, (ii) explore C–Cl carboxylation using CO2 as the C1 feedstock, and (iii) investigate the effects of temperature and PVC configuration on electrocatalytic C–Cl activation and PVC upgrading. Preliminary results show that Ni-pincer complexes can convert alkyl chlorides into alkyl carboxylates in high yields under ambient electrochemical conditions. The proposed design principles will allow the methodical study of molecular catalysts and electrochemical conditions to facilitate the activation and conversion of PVC C–Cl bonds. This project combines molecular engineering, materials science, spectroscopy, and computation and has the potential to inform future sustainable chemistry solutions regarding polyvinyl chloride transformation. This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.