Abstract
Three-dimensional electron diffraction intensity data from poly(epsilon-caprolactone) are used for an ab initio phase determination based on the probabilistic estimate of three- and four-phase structure invariants in space group P212121. From the initial phase set of 30 reflections (two of which are incorrect) of the 47 in the total data set, computed electrostatic potential maps produce a recognizable structure that can be refined by Fourier techniques and atomic displacement. The final structure (R = 0.21), which is very similar to one found in an earlier fiber x-ray study, shows that the polymer chain must adopt a nonplanar conformation around the ester linkage.
Full text
PDF
Selected References
These references are in PubMed. This may not be the complete list of references from this article.
- Abrahamsson S., Dahlén B., Löfgren H., Pascher I. Lateral packing of hydrocarbon chains. Prog Chem Fats Other Lipids. 1978;16:125–143. doi: 10.1016/0079-6832(78)90039-3. [DOI] [PubMed] [Google Scholar]
- Brisse F. Electron diffraction of synthetic polymers: the model compound approach to polymer structure. J Electron Microsc Tech. 1989 Apr;11(4):272–279. doi: 10.1002/jemt.1060110406. [DOI] [PubMed] [Google Scholar]
- Pérez S., Chanzy H. Electron crystallography of linear polysaccharides. J Electron Microsc Tech. 1989 Apr;11(4):280–285. doi: 10.1002/jemt.1060110407. [DOI] [PubMed] [Google Scholar]