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|Title:||Tuning redox behavior and emissive wavelength of conjugated polymers by p-n diblock structures - a theoretical investigation|
|Authors:||Pan, J.-F. |
|Source:||Pan, J.-F., Chua, S.-J., Huang, W. (2000-03-15). Tuning redox behavior and emissive wavelength of conjugated polymers by p-n diblock structures - a theoretical investigation. Synthetic Metals 110 (1) : 85-89. ScholarBank@NUS Repository. https://doi.org/10.1016/S0379-6779(99)00278-7|
|Abstract:||In this communication, we present the results of molecular modeling on the structural units of two series of conjugated polymers using semi-empirical MO calculations. The results confirm that the redox behavior and emissive wavelength of the polymers can be tuned by p-n diblock structures. In addition, the results obtained from parameterization method 3 (PM3) calculations performed on model compounds give good correlation with physicochemical properties observed from the corresponding polymers. The reverse trend in the calculated values of polymer A and B is analyzed with conformational study. Some of the Austin model 1 (AM1) data are also included for comparison.|
|Source Title:||Synthetic Metals|
|Appears in Collections:||Staff Publications|
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