Abstract
For isotactic poly(methyl methacrylate), molecular mechanics energy calculations were carried out on several double-stranded helix oligomer models for analyzing the energetical stability of the polymer double-stranded helix determined by X-ray analysis. The calculation results indicate that the double-stranded-helix structures can exist as stable double-stranded helices by the favorable intertwined interactions of the van der Waals interactions for the large oligomers (n≥10; n is the number of monomers in the oligomer). Moreover, the calculated double-stranded helix structure by the energy minimization method is in good agreement with the observed structure by X-ray analysis.
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References
H. Kusanagi, Y. Chatani, and H. Tadokoro, Polymer, 35, 2028 (1994).
J. D. Watson and H. C. Crick, Nature (London), 171, 737 (1953).
R. Lagrige, H. R. Wilson, C. W. Hooper, and M. H. F. Wilkins, J. Mol. Biol., 2, 19 (1960).
Y. Chatani, T. Kobatake, H. Tadokoro, and R. Tanaka, Macromolecules, 15, 170 (1982).
H. Kusanagi, Polym. J., 28, 639 (1996).
H. Kusanagi, Kobunshi Ronbunshu, 53, 108 (1996).
D. R. Ferro, S. Bruckner, S. V. Meille, and M. Ragazzi, Macromolecules, 23, 1676 (1990).
S. J. Weiner, P. A. Kollman, D. A. Case, U. C. Singh, C. Chio, G. Alagona, S. Profeta, and P. Weiner, J. Am. Chem. Soc., 106, 765 (1984).
H. Tadokoro, K. Tai, M. Yokoyama, and M. Kobayashi, J. Polym. Sci., Polym. Phys. Ed., 11, 825 (1973).
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Kusanagi, H., Chatani, Y. & Tadokoro, H. Molecular Mechanics Energy Calculations for the Double-Stranded Helices of Isotactic Poly(methyl methacrylate) Large Oligomers. Polym J 28, 916–921 (1996). https://doi.org/10.1295/polymj.28.916
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DOI: https://doi.org/10.1295/polymj.28.916
