ISSN:
0887-6266
Keywords:
molecular modeling
;
poly(acrylic acid)
;
poly(methacrylic acid)
;
dyad structures
;
conformational transitions
;
Chemistry
;
Polymer and Materials Science
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
The conformational profiles of nearest side-chain neighbors, methylene-dyad structures, of poly(acrylic acid), PAA, and poly(methacrylic acid), PMA, were determined as a function of tacticity, extent of ionization, and presence of counterion. The dominant backbone conformer states are quite similar for both isotactic and syndiotactic diads in a common charge state. Thus, the overall dimensional properties of isotactic syndiotactic and atactic chains of PAA or PMA, based upon dyad interactions, are predicted to be alike for a given charge state. Significant deviations from precise t, g+, and g- states are found for the dyad minimum energy conformations. The rod-to-coil and coil-to-rod transitions observed in PAA and PMA, respectively, as a function of increasing counterion concentration can be explained, to a large extent, by the conformational profiles of the corresponding dyad model structures. © 1994 John Wiley & Sons, Inc.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/polb.1994.090320609
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