Macrocyclic Ruthenium Ring Expansion Metathesis Polymerization Initiators Exhibit Tether Length-Dependent Behavior

Polymers with a cyclic architecture are invaluable constructs for a variety of materials science and engineering applications. Due to their macrocyclic nature, these plastics are imbued with enhanced mechanical durability; a single scission event along the backbone keeps the polymer intact, and the...

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Main Author: Meredith N. Pomfret (21431988) (author)
Other Authors: Lucy P. Miller (14773139) (author), Nicholas P. Serck (21431991) (author), Ángel Rentería-Gómez (9306741) (author), Bob Li (18229000) (author), Sarah M. Zeitler (10796011) (author), Sebastian M. Krajewski (6711464) (author), Werner Kaminsky (734855) (author), Rajan Paranji (2537065) (author), Osvaldo Gutierrez (1331532) (author), Matthew R. Golder (1678135) (author)
Published: 2025
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Summary:Polymers with a cyclic architecture are invaluable constructs for a variety of materials science and engineering applications. Due to their macrocyclic nature, these plastics are imbued with enhanced mechanical durability; a single scission event along the backbone keeps the polymer intact, and the molar mass remains unchanged. Hence, polymer topology can be envisioned as a strategy to prolong the useful lifetime of a material before failure. With a growing interest in synthesizing such cyclic polymers using ring-expansion metathesis polymerization (REMP), there remains an unmet need to further understand the structure–activity relationships of the requisite organometallic initiators. While analogous Ru-based initiators for ring-opening metathesis polymerization (ROMP) have been widely studied, this same focus has not been applied to REMP. Herein, we report the synthesis and activity of <b>CBX</b> cyclic Ru-benzylidene initiators (<i>X</i> = number of carbon atoms in the tether, 4–6). Through mechanistic studies, we note a marked difference in REMP molar mass control that is reinforced via analyses using solid-state X-ray crystallography and DFT calculations. Overall, these studies provide insight into the relationship between the <b>CBX</b> tether length and its propensity for productive secondary metathesis, a key mechanistic facet for modulating cyclic polymer molar mass.