Characterization of N-vinyl carbazole/vinyl 4-tert-butyl-benzoate copolymers of several molar compositions: SEC, DSC and intramolecular excimers in dilute solutions |
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Authors: | Thais Carmona |
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Affiliation: | Departamento de Química Física, Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain |
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Abstract: | Several N-vinylcarbazole/vinyl p-tert-butyl-benzoate copolymers of different molar monomer compositions and their respective homopolymers have been synthesized by free-radical polymerization. Their solution properties were characterized by size-exclusion chromatography (SEC) coupled with a differential refractive index (RI) and multiangle light scattering (MALS). Differential scanning calorimetry (DSC) was also used to investigate the glass transition temperatures, Tg. In addition, steady-state fluorescence emission spectra in a dilute solution of several fluid and non-fluid solvents were obtained to study the influence of monomer composition on the intramolecular carbazole excimer formation. The amount of excimers strongly depends on the solvent nature and copolymer composition. Molecular Dynamics (MD) simulations on iso- and syndiotactic homopolymer and copolymer fragments were used to obtain the probability of the conformations that satisfy excimer requirements. The analysis of the MD trajectories allows us to evaluate the amount and types of intramolecular excimers for the different systems. |
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Keywords: | Poly(N-vinyl carbazole) Copolymers SEC Fluorescence Excimer Molecular Dynamics |
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