Theoretical study of structural and electronic properties of oligo(thiophene-phenylene)s in comparis

来源 :Chinese Chemical Letters | 被引量 : 0次 | 上传用户:heroszk2
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In this work,a quantum-chemical investigation on the structural and opto-electronic properties of oligo(thiophene-phenylene) (4TP)is carded out.The results are discussed in comparison with the properties of corresponding oligothiophene(8T)and oligophenylene(8P).As the opto-electronic properties of this type of conducting polymers are governed by their electronic band gap,we shall also present a comparison among HOMO,LUMO and band gap energies of these three materials. In this work, a quantum-chemical investigation on the structural and opto-electronic properties of oligo (thiophene-phenylene) (4TP) is carded out. The results are discussed in comparison with the properties of the corresponding oligothiophene (8T) and oligophenylene As the opto-electronic properties of this type of conducting polymers are governed by their electronic band gap, we shall also present a comparison in HOMO, LUMO and band gap energies of these three materials.
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