Electronic properties of pure and doped polyacetylenes
- 14 April 1979
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 12 (7) , L257-L262
- https://doi.org/10.1088/0022-3719/12/7/003
Abstract
The electronic properties of pure polyacetylene have been studied on the basis of the one-dimensional tight-binding LCAO-SCF-MO calculations. It is deduced that the sudden occurrence of high electrical conductivity in polyacetylenes doped with electron donors or acceptors is essentially brought about by the transfer of an electron from the highest occupied band ( pi ) or to the lowest unoccupied band ( pi *) of the parent polyacetylene.Keywords
This publication has 19 references indexed in Scilit:
- FORMATION OF THE STABLE INTERMEDIATE COMPLEXES IN THE HALOGENATION OF POLYACETYLENEChemistry Letters, 1978
- A b i n i t i o Hartree–Fock crystal orbital studies. Energy bands in polyene reconsideredThe Journal of Chemical Physics, 1977
- Structure and Electronic Properties of Polymeric Sulfur NitrideModified by BrominePhysical Review Letters, 1977
- Thermal cis–trans isomerization and decomposition of polyacetyleneJournal of Polymer Science: Polymer Chemistry Edition, 1975
- Electronic structures of polymers using the tight-binding approximation. III. Density matrix approach to poly-L-alanine and polyglycine-water complex by the CNDO/2 methodThe Journal of Chemical Physics, 1974
- Simultaneous polymerization and formation of polyacetylene film on the surface of concentrated soluble Ziegler‐type catalyst solutionJournal of Polymer Science: Polymer Chemistry Edition, 1974
- All‐electrons band structure of PolyeneInternational Journal of Quantum Chemistry, 1971
- The alternation of bond lengths in long conjugated chain moleculesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1959
- The electronic structure of some polyenes and aromatic molecules. VII. Bonds of fractional order by the molecular orbital methodProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1939
- The electronic structure of some polyenes and aromatic molecules I–The nature of the links by the method of molecular orbitalsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1937