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Original Articles

Sequence Distribution of Poly(methyl acrylate) by Incremental Calculation

, &
Pages 105-118 | Received 22 Aug 2012, Accepted 07 Sep 2012, Published online: 11 Feb 2013
 

Abstract

The carbonyl signal in the 100 MHz 13C NMR spectra of poly(methyl acrylate) (PMA) recorded in benzene-d6 exhibits configurational sensitivity up to pentads, and the signal of backbone β-CH2 carbons shows splitting up to configurational hexads with traces of octads. Assignment of the sequences to respective signals was confirmed by computer simulation of both carbonyl and methylene signals applying a method of incremental calculation of chemical shifts of individual sequences and second-order Markov statistics for sequence probabilities.

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