A molecular structure and crystallization correlation study of pyromellitic diimide‐based conjugated copolymers | Zendy

Tsai MingChia | Zendy; Liu JaWei | Zendy; Huang PingTsung | Zendy

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A molecular structure and crystallization correlation study of pyromellitic diimide‐based conjugated copolymers

Author(s) -

Tsai MingChia,

Liu JaWei,

Huang PingTsung

Publication year - 2018

Publication title -

journal of the chinese chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.329

H-Index - 45

eISSN - 2192-6549

pISSN - 0009-4536

DOI - 10.1002/jccs.201700440

Subject(s) - diimide , pyromellitic dianhydride , comonomer , polymer chemistry , conjugated system , copolymer , polymer , chemistry , crystallization , materials science , molecule , organic chemistry , perylene , polyimide , layer (electronics)

Three pyromellitic diimide(PMDI)‐based polymers—poly(pyromellitic diimide‐co‐bithiophene) [poly(PMDI‐BTh)], poly(pyromellitic diimide‐co‐tetrathiophene) [poly(PMDI‐TTh)], and poly(pyromellitic diimide‐co‐benzodithio‐ phene) [poly(PMDI‐BDTTh)]—are synthesized to study the influence of different thiophene‐containing electron‐donating groups on the crystallizability of PMDI‐based conjugated polymers. Computer simulation using Density Functional Theory (DFT) [Gaussian B3LYP/6–31 + G(d,p)] indicates that poly(PMDI‐BDTTh) has a more planar molecular structure than the other two copolymers. Powder XRD diffraction experiment of the poly(PMDI‐BDTTh) shows a diffraction peak at about 2θ = 6.0°, but no diffraction peak occurs for poly(PMDI‐BTh) and poly(PMDI‐TTh). Although PMDI is a planar structure that is favorable for the molecular aggregation, a comonomer with planar structure seems to be very crucial in order to synthesize a crystallizable push–pull‐type PMDI‐based conjugated copolymer.

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