Refinement of a Valence Force Field for Polytetrafluoroethylene by a Damped Least-Squares Method
- 1 May 1970
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 52 (9), 4826-4829
- https://doi.org/10.1063/1.1673718
Abstract
Band assignments in polytetrafluoroethylene (PTFE) are revised based on new spectral results. The method of damped least squares is used to calculate a 19‐parameter valence force field for PTFE. Comparisons between calculated and observed optically active fundamentals are made and potential‐energy distributions are presented. Dispersion curves and frequency distributions are also presented and compared to those derived from inelastic neutron scattering results.Keywords
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