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<p>Biaxially oriented semicrystalline film of poly(ethylene 2,6-naphthalate) was investigated via mid-infrared Mueller matrix spectroscopic ellipsometry using a prototype instrument with a quantum-cascade laser as the source. The results were analyzed using a biaxial anisotropic model, and the absorption features are characteristic of the <i>α</i> phase of poly(ethylene 2,6-naphthalate). A comparison with density functional theory calculations of methyl ethyl 2,6-naphthalate, a model molecule consistent with the structure and conformation of <i>α</i>-poly(ethylene 2,6-naphthalate), reveals that the planes of naphthalene moieties of the polymer backbone are parallel to the surface. A parameterized model of the biaxial dielectric function is reported.</p>

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Molecular orientation of polymer chains of poly(ethylene 2,6-naphthalate) determined using Mueller matrix infrared spectroscopic ellipsometry supported by density functional theory calculations

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年5月26日

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  • Rafał Korlacki,
  • Nina Hong,
  • James N. Hilfiker,
  • Craig Herzinger,
  • Steve Green,
  • Gerry Cooney

摘要

Biaxially oriented semicrystalline film of poly(ethylene 2,6-naphthalate) was investigated via mid-infrared Mueller matrix spectroscopic ellipsometry using a prototype instrument with a quantum-cascade laser as the source. The results were analyzed using a biaxial anisotropic model, and the absorption features are characteristic of the α phase of poly(ethylene 2,6-naphthalate). A comparison with density functional theory calculations of methyl ethyl 2,6-naphthalate, a model molecule consistent with the structure and conformation of α-poly(ethylene 2,6-naphthalate), reveals that the planes of naphthalene moieties of the polymer backbone are parallel to the surface. A parameterized model of the biaxial dielectric function is reported.