Molecular Design and Property Prediction of Sterically Confined Polyimides for Thermally Stable and Transparent Materials.

ABSTRACT: To meet the demand for next-generation flexible optoelectronic devices, it is crucial to accurately establish the chemical structure-property relationships of new optical polymer films from a theoretical point of view, prior to production. In the current study, computer-aided simulations of newly designed poly(ester imide)s (PEsIs) with various side groups (⁻H, ⁻CH₃, and ⁻CF₃) and substituted positions were employed to study substituent-derived steric effects on their optical and thermal properties. From calculations of the dihedral angle distribution of the model compounds, it was found that the torsion angle of the C⁻N imide bonds was effectively constrained by the judicious introduction of di-, tetra-, and hexa-substituted aromatic diamines with ⁻CF₃ groups. A high degree of fluorinatio

SUBMITTER: Nam KH 

PROVIDER: S-EPMC6403577 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature