alpha and beta 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 alpha' structure of a PEF sample was refined from data previously reported for PEF fiber. Triclinic alpha-PEF a = 5.729 angstrom, b = 7.89 angstrom, c = 9.62 angstrom, alpha = 98.1 degrees, beta = 65.1 degrees, gamma= 101.3 degrees; monoclinic alpha'-PEF a = 5.912 angstrom, b = 6.91 angstrom, c = 19.73 angstrom, alpha = 90 degrees, beta = 90 degrees, gamma = 104.41 degrees; and monoclinic beta-PEF a = 5.953 angstrom, b = 6.60 angstrom, c = 10.52 angstrom, alpha = 90 degrees, beta = 107.0 degrees, gamma = 90 degrees 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.
Structural Investigation of Poly(ethylene furanoate) Polymorphs
Gazzano Massimo;
2018
Abstract
alpha and beta 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 alpha' structure of a PEF sample was refined from data previously reported for PEF fiber. Triclinic alpha-PEF a = 5.729 angstrom, b = 7.89 angstrom, c = 9.62 angstrom, alpha = 98.1 degrees, beta = 65.1 degrees, gamma= 101.3 degrees; monoclinic alpha'-PEF a = 5.912 angstrom, b = 6.91 angstrom, c = 19.73 angstrom, alpha = 90 degrees, beta = 90 degrees, gamma = 104.41 degrees; and monoclinic beta-PEF a = 5.953 angstrom, b = 6.60 angstrom, c = 10.52 angstrom, alpha = 90 degrees, beta = 107.0 degrees, gamma = 90 degrees 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
