Title:    Metallocene catalysts for the ring-opening co-polymerisation of epoxides and cyclic anhydrides - data

Citation
Shaw MS, Ward BD, Jones MD (2022). Metallocene catalysts for the ring-opening co-polymerisation of epoxides and cyclic anhydrides - data. Cardiff University. https://doi.org/10.17035/d.2022.0152098705

Dataset Details

Publisher: Cardiff University

Date (year) of data becoming publicly available: 2022

Coverage start date: 01/08/2020

Coverage end date: 05/01/2022

Data format: out, fid, chk, xlsx

Software Required: Gaussview, Topspin, Excel

Estimated total storage size of dataset: Less than 10 gigabytes

DOI : 10.17035/d.2022.0152098705

DOI URL: http://doi.org/10.17035/d.2022.0152098705

Description

The ring-opening co-polymerization (ROCOP) of epoxides and cyclic anhydrides is a versatile route to polyester materials. The vast number of monomers that are readily available means that an effectively limitless number of unique polymeric substances can be prepared using a common synthetic route, thereby paving the way to  polymers that are more recyclable and could be used in applications that currently lie within the remit of polyolefins alone. Metallocene complexes [Cp₂MCl₂] (M = Ti, Zr, Hf, Cp = η⁵-C₅H₅) are known to be excellent pre-catalysts for olefin polymerization and yet have not been reported for ROCOP, despite their supreme pedigree in the polymerization realm. Herein, we report the first application of [Cp₂MCl₂] as catalysts for the ROCOP of epoxides and anhydrides and show that they are effective catalysts for this reaction. The catalytic performances are good with standard epoxides such as cyclohexene oxide but are excellent with more challenging sterically demanding limonene oxide, and therefore represents a highly effective catalyst system for the preparation of bio-derived recyclable  polymers.

The dataset contains NMR data (Bruker), DFT input and output files (Gaussian 09), and chromatographic data (GPC traces, Excel) which together form chracterising data relating to the polymers, catalyst performance, and mechanistic analyses.

Research results based upon these data re published at https://doi.org/10.1039/D2PY00335J