Theoretical designing of copolymers of donor-acceptor polymers based on polysilole
Geetika Gandhi & A K Bakhshi *
The electronic structures and conduction properties of quasi-one-dimensional superlattices (copolymers) (AmBn)x of two silole based donor- acceptor polymers PSICO (A)x and PSICN (B)x calculated on the basis of the negative factor counting method in the tight-binding approximation are reported. The repeat unit of PSICO and PSICN consists of bicyclopentadisilole unit bridged by an electron-accepting group in PSICO and C(CN)2 in PSICN). The copolymers, on the basis of the band positions of PSICO and PSICN, are found to belong to the class of type-II staggered superlattices. The trends in the electronic properties of the copolymers as a function of (i) the block size m of A, (ii) the block size n of B, (iii) the block sizes m and n keeping m/n constant and (iv) the arrangement of units in the copolymer chain (periodic or aperiodic) are discussed.
Indian Journal of Chemistry
Vol. 42A, February 2003, pp 250-254
Geetika Gandhi & A K Bakhshi *
The electronic structures and conduction properties of quasi-one-dimensional superlattices (copolymers) (AmBn)x of two silole based donor- acceptor polymers PSICO (A)x and PSICN (B)x calculated on the basis of the negative factor counting method in the tight-binding approximation are reported. The repeat unit of PSICO and PSICN consists of bicyclopentadisilole unit bridged by an electron-accepting group in PSICO and C(CN)2 in PSICN). The copolymers, on the basis of the band positions of PSICO and PSICN, are found to belong to the class of type-II staggered superlattices. The trends in the electronic properties of the copolymers as a function of (i) the block size m of A, (ii) the block size n of B, (iii) the block sizes m and n keeping m/n constant and (iv) the arrangement of units in the copolymer chain (periodic or aperiodic) are discussed.
Indian Journal of Chemistry
Vol. 42A, February 2003, pp 250-254
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