Theoretical Study of the Conformational Behaviour of Poly(oxypropylene) Chains

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Title:Theoretical Study of the Conformational Behaviour of Poly(oxypropylene) Chains
Creators:
Stepto, Robert F. T.
Taylor, David J. R.
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 60, 10, pp. 1589-1608

Abstract

<p>The present paper describes the calculation of the conformational behaviour of isotactic, syndiotactic and atactic poly(oxypropylene) (POP) chains, using rotational-isomeric-state (R-I-S) theory in the form of BIOSYM's <i>Polymer</i> computer-software. It is found that the conformational behaviour of the POP chain, in the region of an <i>R</i> methyl-substituted skeletal carbon atom, differs from that in the region of the corresponding <i>S</i> carbon, due to the differences in the steric interactions between the methyl side-group and the methylene group two skeletal atoms away in the POP backbone. Thus, the isotactic and syndiotactic chains have markedly different values of C<sub>n</sub>, the characteristic ratio. Accordingly, C<sub>n</sub> was calculated for isotactic, syndiotactic and atactic POP chains of various numbers of skeletal bonds, <i>n</i>. The results showed that the isotactic chains occupy more extended conformations (with the highest values of <i>C<sub>n</sub></i>), compared with the highly-coiled syndiotactic chains (lower values of <i>C<sub>n</sub></i>). For the atactic POP chains, <i>C<sub>n</sub></i> was found to lie between the two extremes of the isotactic and syndiotactic forms. The value of C<sub>*</sub> for the infinite atactic POP chain was found to be consistent with values determined from experimental measurements.

Title:Theoretical Study of the Conformational Behaviour of Poly(oxypropylene) Chains
Creators:
Stepto, Robert F. T.
Taylor, David J. R.
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:60
Number:10
Page Range:pp. 1589-1608
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19951589UNSPECIFIED
ID Code:855
Item Type:Article
Deposited On:06 Feb 2009 17:04
Last Modified:06 Feb 2009 16:04

Citation

Stepto, Robert F. T.; Taylor, David J. R. (1995) Theoretical Study of the Conformational Behaviour of Poly(oxypropylene) Chains. Collection of Czechoslovak Chemical Communications, 60 (10). pp. 1589-1608. ISSN 0010-0765

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