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Please use this identifier to cite or link to this item: http://eprint.iitd.ac.in/handle/2074/1444

Title: Analysis of quaternary carbon resonances of vinylidene chloride/methyl acrylate copolymers
Authors: Brar, Ajaib Singh
Singh, Gurmeet
Ravi Shankar
Keywords: NMR
Chemical shift
Modeling
Genetic algorithm
Reactivity ratios
Issue Date: 2004
Citation: European Polymer Journal, 40(12), 2679-2688
Abstract: Analysis of the quaternary carbon resonance signals of vinylidene chloride in vinylidene chloride (V)/methyl acrylate (M) copolymers at pentad level of compositional sensitivity is presented in this paper. The analysis has been done by resolving overlapped and complex resonance signals using an approach based on the intensities of resonances, chemical shift prediction and spectral simulation. Intensities of the resonance signals were calculated using the reactivity ratios optimized from the dyad and triad fractions, obtained from the 13C 1H NMR data, by applying genetic algorithm. Joint confidence interval was obtained for the optimized reactivity ratios. The chemical shift modeling of the quaternary carbon resonance signals in terms of empirical additive parameters was done. The chemical shifts of overlapping pentad resonances were predicted from the empirical additive parameters optimized using genetic algorithm. Comparison of the intensities of pentad resonances assigned by chemical shift modeling and experimental intensities of resonances has been done to ascertain the assignments made. Comparison between simulated and experimental spectra at pentad level of sensitivity has been done.
URI: http://eprint.iitd.ac.in/dspace/handle/2074/1444
Appears in Collections:Chemistry

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