α and β crystalline phases of poly(ethylene furanoate) (PEF) were determined using X-ray powder diffraction by structure resolution in direct space and Rietveld refinement. Moreover, the α’ structure of a PEF sample was refined from data previously reported for PEF fiber. Triclinic α-PEF a = 5.729 Å, b = 7.89 Å, c = 9.62 Å, α = 98.1◦ , β = 65.1◦ , γ = 101.3◦; monoclinic α’-PEF a = 5.912 Å, b = 6.91 Å, c = 19.73 Å, α = 90◦ , β = 90◦ , γ = 104.41◦ ; and monoclinic β-PEF a = 5.953 Å, b = 6.60 Å, c = 10.52 Å, α = 90◦ , β = 107.0◦ , γ = 90◦ were determined as the best fitting of X-ray diffraction (XRD) powder patterns. Final atomic coordinates are reported for all polymorphs. In all cases PEF chains adopted an almost planar configuration.
Maini, L., Gigli, M., Gazzano, M., Lotti, N., Bikiaris, D., Papageorgiou, G. (2018). Structural Investigation of Poly(ethylene furanoate) Polymorphs. POLYMERS, 10(3), 1-9 [10.3390/polym10030296].
Structural Investigation of Poly(ethylene furanoate) Polymorphs
Maini, Lucia;Gigli, Matteo
;Gazzano, Massimo;Lotti, Nadia
;
2018
Abstract
α and β crystalline phases of poly(ethylene furanoate) (PEF) were determined using X-ray powder diffraction by structure resolution in direct space and Rietveld refinement. Moreover, the α’ structure of a PEF sample was refined from data previously reported for PEF fiber. Triclinic α-PEF a = 5.729 Å, b = 7.89 Å, c = 9.62 Å, α = 98.1◦ , β = 65.1◦ , γ = 101.3◦; monoclinic α’-PEF a = 5.912 Å, b = 6.91 Å, c = 19.73 Å, α = 90◦ , β = 90◦ , γ = 104.41◦ ; and monoclinic β-PEF a = 5.953 Å, b = 6.60 Å, c = 10.52 Å, α = 90◦ , β = 107.0◦ , γ = 90◦ were determined as the best fitting of X-ray diffraction (XRD) powder patterns. Final atomic coordinates are reported for all polymorphs. In all cases PEF chains adopted an almost planar configuration.File | Dimensione | Formato | |
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