Local Conformation and Cocrystallization Phenomena in Renewable Diaminoisoidide-Based Polyamides Studied by FT-IR, Solid State NMR, and WAXD
| Autor: | CE Cor Koning, Lidia Jasinska-Walc, Maurizio Villani, Michael Ryan Hansen, E. A. Klop, Dmytro Dudenko, Sanjay Rastogi, Otto van Asselen |
|---|---|
| Přispěvatelé: | Chemical Engineering and Chemistry |
| Rok vydání: | 2012 |
| Předmět: |
education.field_of_study
Materials science Polymers and Plastics Sebacic acid Hydrogen bond Organic Chemistry Population Nuclear magnetic resonance spectroscopy Crystal structure Inorganic Chemistry chemistry.chemical_compound Crystallography Solid-state nuclear magnetic resonance chemistry Ab initio quantum chemistry methods Polymer chemistry Materials Chemistry SDG 7 - Affordable and Clean Energy education Conformational isomerism SDG 7 – Betaalbare en schone energie |
| Zdroj: | Jasinska-Walc, L, Koning, C E, Villani, M, Rastogi, S, Dudenko, D, Hansen, M R, Klop, E & Van Asselen, O 2012, ' Local conformation and cocrystallization phenomena in renewable diaminoisoidide-based polyamides studied by FT-IR, solid state NMR, and WAXD ', Macromolecules, vol. 45, no. 6, pp. 2796-2808 . https://doi.org/10.1021/ma300133d Macromolecules, 45(6), 2796-2808. American Chemical Society |
| ISSN: | 1520-5835 0024-9297 |
| DOI: | 10.1021/ma300133d |
| Popis: | Biobased polyamides synthesized from diaminoisoidide (DAII), 1,4-diaminobutane, and sebacic acid are investigated by FT-IR, 13C{1H} magic-angle spinning/cross-polarization (CP/MAS) NMR spectroscopy, and WAXD. Their molecular conformation and mobility undergo distinct changes as a function of temperature and diaminoisoidide content in the compositions. The presence of randomly distributed diaminoisoidide (DAII) in the polyamides reduces their hydrogen bond density and affects the trans/gauche conformer population. FT-IR and 13C{1H} CP/MAS NMR were successfully employed to prove the incorporation of DAII both in the crystalline and amorphous phase of these materials. Changes in the position and intensities of the diaminoisoidide-assigned FT-IR and NMR signals prove that the DAII monomer causes a conformational disorder of the polyamides and thus influences the crystal structure of these materials, as also shown by WAXD experiments. Extensive ab initio calculations using a combination of DFT and MP2 methods reveal a number of stable conformers of DAII and thus an unexpectedly high flexibility of the isohexide unit. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|