From PEF to PBF: What difference does the longer alkyl chain make a computational spectroscopy study of poly(butylene 2,5-furandicarboxylate)

• Published in: Frontiers in chemistry Vol. 10; p. 1056286
• Main Authors: Nolasco, Mariela M, Rodrigues, Leonor C, Araújo, Catarina F, Coimbra, Mariana M, Ribeiro-Claro, Paulo, Vaz, Pedro D, Rudić, Svemir, Silvestre, Armando J D, Bouyahya, Chaima, Majdoub, Mustapha, Sousa, Andreia F
• Format: Journal Article
• Language: English
• Published: Switzerland Frontiers Media S.A 06.12.2022
• Subjects: 2,5-furan dicarboxylate; C-H...O hydrogen bond; Chemistry; computational spectroscopy; inelastic neutron scattering (INS); molecular interpretation; physical properties; physical properties; molecular interpretation; 2,5-furan dicarboxylate; computational spectroscopy; inelastic neutron scattering (INS); C-H...O hydrogen bond; butylene glycol

This 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 spe...