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Sarah M. West ; Duyen K. Tran ; Jiajie Guo , et al. Macromolecules,2023,56(24):10222-10235. DOI: 10.1021/acs.macromol.3c01561
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Abstract: In this work, we show how N-alkyl substitution affects the chain conformation, electronic structure, and optical and charge transport properties of π-conjugated ladder poly(pyrrolobenzothiazines)s (LPBTs). We found that the π-conjugated backbones of the LPBTs have a donor–acceptor motif, which enabled a small bandgap of 1.5 eV that is unchanged by N-alkyl substitution. We found that partial protonation of the LPBTs in acid solutions resulted in increased backbone flexibility evidenced by thermochromism in solution and planar/nonplanar chain conformational variation with degree of protonation that we saw in density functional theory (DFT) calculations. The average field-effect hole mobility increased from 1.3 × 10[–3] cm2/(V s) in LPBT-Me to 3.1 × 10[–3] cm2/(V s) in LPBT, which can be explained by the increased crystallinity and decreased lattice disorder in LPBT. The results of our investigations of the solution and solid-state properties of the two ladder poly(pyrrolobenzothiazine)s provide new insights into the structure–property relationships of π-conjugated ladder polymers.
Purchased from AmBeed: 75464-52-7 ; 1122-10-7 ; 3005-27-4
CAS No. : | 1122-10-7 | MDL No. : | MFCD00185696 |
Formula : | C4HBr2NO2 | Boiling Point : | No data available |
Linear Structure Formula : | - | InChI Key : | BIKSKRPHKQWJCW-UHFFFAOYSA-N |
M.W : | 254.86 | Pubchem ID : | 14279 |
Synonyms : |
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Signal Word: | Warning | Class: | |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
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