From PEF to PBF: What difference does the longer alkyl chain make a computational spectroscopy study of poly(butylene 2,5-furandicarboxylate)
2022; Frontiers Media; Volume: 10; Linguagem: Inglês
10.3389/fchem.2022.1056286
ISSN2296-2646
AutoresMariela M. Nolasco, Leonor C. Rodrigues, Catarina F. Araújo, Mariana M. Coimbra, Paulo Ribeiro‐Claro, Pedro D. Vaz, Svemir Rudić, Armando J. D. Silvestre, Chaima Bouyahya, Mustapha Majdoub, Andreia F. Sousa,
Tópico(s)Ionic liquids properties and applications
ResumoThis work explores the conformational preferences and the structure-property correlations of poly(butylene 2,5-furandicarboxylate) (PBF), a longer chain analogue of the most well-known biobased polyester from the furan family, poly(ethylene 2,5-furandicarboxylate) (PEF). A thorough computational spectroscopic study-including infrared, Raman and inelastic neutron scattering spectroscopy, combined with discrete and periodic density functional theory calculations-allowed the identification of dominant structural motifs in the amorphous and crystalline regions. Discrete calculations and vibrational spectroscopy of semi-crystalline and amorphous samples strongly support the predominance of
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