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Synthetic and structural studies of high performance polymers: Crystal structures of high performance aromatic polymers using mo,Used
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Crystal structure plays an important role in determining chemical and mechanical properties of polymers.Elucidating the crystal structure of polymers is extremely difficult particularly in obtaining a sizeable crystal for XRD analysis.This work prove the viability of computer modelling approach interfaced with simulated XRD diffraction. Highperformance aromatic polymers based on the 4,4'biphenylene, 1,3phenylene,isophthaloyl bis(4,4'biphenylene) and pterphenyl units were synthesized and their crystal structures investigated. The polymers show extreme thermal stability and are insoluble in almost all organic solvents.Oligomer and polymer crystal structures were constructed using computational modelling and quantitatively compared with simulated diffraction via Rietveld Analysis. Molecular mechanics forcefields were optimised from conformational and crystal packing data determined from oligomeric analogues by Xray singlecrystal and powder diffraction methods.
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