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

CAS：合作研究：使用地球上丰富的分子电催化剂升级常温聚氯乙烯 (PVC)

• 批准号: 2347912
• 负责人: Jianbing Jiang
• 金额: $ 35.92万
• 依托单位: University of Cincinnati Main Campus
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-05-01 至 2027-04-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2347912&HistoricalAwards=false
• 关键词: CAS; Collaborative; Research; Ambient; Polyvinyl

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.

在化学部的化学结构，动力学和机制B（CSDM-B）计划的支持下，辛辛那提大学化学系的江江和宾厄姆顿大学化学系的Julien Panetier正在开发新的催化剂，以促进小型分子和聚氯乙烯基氯化氯化氯化氯化氯化氯化氯化物。这项研究的目的是利用过渡金属复合物的特征来开发新型催化剂，并从实验和计算的角度研究它们用聚氯乙烯的活性。因此，该项目属于有机化学，材料和计算化学的联系，因此，协作研究团队在为学生提供跨学科的教育和培训方面有好处。涉及公众和代表性不足的团体的外展活动也将成为资助项目的一部分。聚氯乙烯氯化物（PVC）是全球第三大生产的合成塑料聚合物，广泛用于各种行业和家庭应用中。但是，传统的PVC修复和升级策略需要高能量投入，并产生环境危险的化学物种，例如HCl。该项目旨在探索量丰富的分子催化剂，以将PVC转化为环境条件下的环保和增值聚合物。在该研究项目中，研究小组（i）将（i）研究配体和金属中心的合理组合烷基C – Cl键的氢化氯化，（ii）使用CO2作为C1原料探索C – Cl羧化，以及（iii）研究温度和PVC配置对电核CCL CLC – CLCL CLC -CLC – CLC – CLC – CLC – CLC -CLC upvc的影响。初步结果表明，在环境电化学条件下，Ni-Pincer络合物可以将烷基氯化物以高产量转化为烷基羧酸盐。拟议的设计原理将允许对分子催化剂和电化学条件进行有条理的研究，以促进PVC C -CL键的激活和转化。该项目结合了分子工程，材料科学，光谱和计算，并有可能为未来的可持续化学解决方案提供有关聚氯化物转化的可持续化学解决方案。该奖项反映了NSF的法定任务，并被认为是通过基金会的知识分子优点和更广泛影响的审查标准来评估通过评估来支持的。