A Time-Dependent DFT Study on Band Gaps and Effective Conjugation Lengths of Polyacetylene, Polyphenylene, Polypentafulvene, Polycyclopentadiene, Polypyrrole, Polyfuran, Polysilole, Polyphosphole, and Polythiophene-Reference-Cited by-同舟云学术

A Time-Dependent DFT Study on Band Gaps and Effective Conjugation Lengths of Polyacetylene, Polyphenylene, Polypentafulvene, Polycyclopentadiene, Polypyrrole, Polyfuran, Polysilole, Polyphosphole, and Polythiophene

Published:2001-12-27 Issue:3 Volume:35 Page:1109-1115
ISSN:0024-9297
Container-title:Macromolecules
language:en
Short-container-title:Macromolecules

Author:

Ma Jing¹,Li Shuhua¹,Jiang Yuansheng¹

Affiliation:

1. Department of Chemistry, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing, 210093, P. R. China

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Inorganic Chemistry,Polymers and Plastics,Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ma011279m

Reference37 articles.

1. Synthetic Principles for Bandgap Control in Linear π-Conjugated Systems

2. Experimental studies of sodium‐doped polyacetylene: Optical and ESR results for metallic (CHNay)x

3. Crystals of an antiferromagnetic 1,3-butadiyne compared with a ferromagnetic 1,3,5-hexatriyne carrying a 4-Chloro-3-(N-tent-butyl-N-oxyamino)phenyl Group as a Persistent Free Radical Substituent

4. Dehydro coupling of aromatic nuclei by catalyst-oxidant systems: poly(p-phenylene)

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