Controlled Synthesis, Characterization and Computational Studies of Novel Homo and Random Co-Polymers from Carbazolovinylene and Phenothiazinovinylene via ROMP Chemistry

Faculty	Science	Year:	2025
Type of Publication:	ZU Hosted	Pages:
Authors:	Staff Zu Site Abstract In Staff Site
Journal:	Polymer Elsevier	Volume:

Keywords :	Controlled Synthesis, Characterization , Computational Studies , Novel
Abstract:	Using living ROMP with G-2nd generation, we synthesized and reported novel homopolymers (P1–P4) and a random copolymer (P5). Essential monomers, carbazolovinylene (M1) and phenothiazinovinylene (M2), containing octyl chains, were prepared via McMurry dimerization. M1 polymerized under variety of circumstances, whereas M2 necessitated more stringent environmental controls due to its lower ring strain. GPC analysis revealed Mn values of 8.78 - 20.46 kDa and Mw between 9.38 and 20.46 kDa, indicating controlled polymerization PDIs of 1.06–1.25. UV-Vis spectra indicated λmax values of 327.6–417.5 nm in DCM, with optical band gaps (Egop) between 2.52 and 2.90 eV. Using DFT and TD-DFT methodologies investigated that P4 is absolute soft according to (σ = 3.546 eV), while P5 is treated as hard compounds (σ = 0.639 eV) and These findings demonstrate the effective synthesis of well-defined …

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