Maini Lucia, Gigli Matteo, Gazzano Massimo, Lotti Nadia, Bikiaris Dimitrios N, Papageorgiou George Z
Department of Chemistry "G. Ciamician", Via Selmi 2, University of Bologna, 40126 Bologna, Italy.
Department of Chemical Science and Technologies, University of Roma Tor Vergata, Via della Ricerca Scientifica 1, 00133 Roma, Italy.
Polymers (Basel). 2018 Mar 9;10(3):296. doi: 10.3390/polym10030296.
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 = 5.729 Å, = 7.89 Å, = 9.62 Å, α = 98.1°, β = 65.1°, γ = 101.3°; monoclinic α'-PEF = 5.912 Å, = 6.91 Å, = 19.73 Å, α = 90°, β = 90°, γ = 104.41°; and monoclinic β-PEF = 5.953 Å, = 6.60 Å, = 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.
通过直接空间结构解析和Rietveld精修，利用X射线粉末衍射法测定了聚（呋喃二甲酸乙二酯）（PEF）的α和β晶相。此外，根据先前报道的PEF纤维数据对一个PEF样品的α'结构进行了精修。三斜α-PEF：a = 5.729 Å，b = 7.89 Å，c = 9.62 Å，α = 98.1°，β = 65.1°，γ = 101.3°；单斜α'-PEF：a = 5.912 Å，b = 6.91 Å，c = 19.73 Å，α = 90°，β = 90°，γ = 104.41°；单斜β-PEF：a = 5.953 Å，b = 6.60 Å，c = 10.52 Å，α = 90°，β = 107.0°，γ = 90°，这些被确定为X射线衍射（XRD）粉末图谱的最佳拟合结果。报告了所有多晶型物的最终原子坐标。在所有情况下，PEF链均采用几乎平面的构型。
