Determination of the electronic structure of oligo(2-thienyl ketones) and extrapolation to poly(thienylene ketone)
Article Abstract:
Gas-phase ionization and attachment energy (IE and AE) values of the first oligomers of 2-thienyl ketone have been determined experimentally. The results of theoretical HF/6-31G** calculations agree with the assignments of the ultraviolet photoelectron spectra. Extrapolation to the corresponding polymer was allowed by the constant value of the HOMO energy. The LUMO energy for the oligomers and for an ideal gas-phase poly(thienylene ketone) was obtained by a combined analysis of the AE values, the electrochemical reduction data and the results of ab initio 6-31G**.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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Qualitative and quantitative analysis of solid state free induction decay ((super 1)H NMR) curves using a combination of the methods of Gardner and Prony: isotactic polypropylene as a case study
Article Abstract:
The analysis of free induction decay curves of an isotactic polypropylene film obtained at different temperatures is presented. A combination of the methods of Gardner and Prony was used for the quantitative and qualitative analysis of induction decay curves that were recorded at 40, 60, 80, and 100 degrees Celsius at constant time intervals. These multicomponent decay curves provided information about the physicochemical structure of the polymer sample. Results allowed each component to be characterized by a specific model function based on spin-spin relaxation.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
User Contributions:
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