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Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.49A [2010] >
IJC-A Vol.49A(11) [November 2010] >
| Title: | Novel triblock conducting copolymer: A theoretical study |
| Authors: | Agrawal, Swati
Bakhshi, A K |
| Keywords: | Theoretical chemistry
Conducting polymers
Density of state
Electronic structures
Donor-acceptor polymers |
| Issue Date: | Nov-2010 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | The effects of
block size and multi-neighbour interactions on electronic structures and
conduction properties
of a novel periodic triblock copolymer (AmBnCk)x
comprising repeat units of poly(dicyanomethylenedi-
(1,1-difluorocyclopentadiene)) (PCFC),
polydifluoromethylenecyclopentadifuran (PFFu) and
poly-4-H-cyclopentadithiophene-4-one (PCDT) have been studied using NFC
method. These repeat units consist of a backbone of trans-cisoid
polyacetylene stabilized alternately by different bridging groups X and Y which
are covalently bonded to form heterocycles. The IP, EA and Eg values of the
homopolymers PCFC, PFFu and PCDT are 9.913 eV, 5.679 eV, 4.216 eV; 8.057 eV, 3.014 eV,
5.043 eV and 8.774 eV, 2.513 eV and 6.261 eV respectively. Increasing block
size of the components results in copolymers with better conductivity. Increase
in block size of components PCFC and PFFu results in increased
n-dopantphilicity and
p-dopantphilicity respectively. Effect of multi-neighbour interactions is studied
up to eight neighbours. |
| Page(s): | 1453-1460 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Source: | IJC-A Vol.49A(11) [November 2010]
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