Abstract
The conformational flexibility of partially hydrogenated rings in naphthylimide, naphthalic anhydride, and some of their derivatives used as model compounds for the repeating unit in rigid-chain heterocyclic polymers, was studied by the semiempirical quantum-chemical AM1 method. The partially hydrogenated rings in all of these compounds possess conformational flexibility. Transition from a planar equilibrium form to a distorted sofa conformation with a torsion angle of ±20° results in an increase in the energy of less than 1 kcal mol−1. The high flexibility of partially hydrogenated rings, along with other factors, can cause finite length of the Kuhn segment in rigid-chain heterocyclic polymers.
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya. No. 1, pp. 64–66, January 1997.
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Shishkin, O.V., Ponomarev, I.I. Conformational flexibility of partially hydrogenated rings in the repeating units of rigid-chain heterocyclic polymers. Russ Chem Bull 46, 59–61 (1997). https://doi.org/10.1007/BF02495347
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DOI: https://doi.org/10.1007/BF02495347