Global Analysis of Polyfluorene via AB-Type Suzuki–Miyaura Polymerization: Empirical and Mechanistic Rationalization of Structural and Reaction Parameters on Molar Mass, Dispersity, and Yield
Alexander Kleine, Ulrich S. Schubert, Michael Jäger
TL;DR
This paper analyzes how to optimize the synthesis of polyfluorene polymers using a specific polymerization method to achieve desired properties like molar mass and dispersity.
Contribution
A global algorithmic analysis of AB-type Suzuki-Miyaura polymerization data to identify optimal conditions for high fidelity and yield.
Findings
SCTP fidelity is maintained with monomer-to-catalyst ratios up to 500 using tBu3P-based Pd precatalysts and boronate monomers.
Monomer-to-catalyst ratios up to 25 typically follow ideal SCTP behavior.
The study provides a dataset and machine learning-ready results for further analysis.
Abstract
The preparation of conjugated polymers with precisely tunable optoelectronic properties is based on modern polymerization techniques. In addition to conventional step-growth polycondensation for the underlying C–C coupling steps, the Suzuki-Miyaura catalyst-transfer polymerization (SCTP) continues to attract great interest, as it enables chain growth with controlled molar masses, dispersity values, and end group fidelity. The combination of these beneficial properties allows for use in defined block copolymers or as functional building blocks in functional polymer architectures aiming to control energy and charge transfer at the macromolecular level. For an ideal SCTP mechanism, a ring-walking step is crucialand many experimental parameters contribute to the overall success of the polymerization to tailor the desired degree of polymerization, low dispersity values, and high yields.…
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Taxonomy
TopicsOrganic Electronics and Photovoltaics · Advanced Polymer Synthesis and Characterization · Organometallic Complex Synthesis and Catalysis