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  Band structure properties of one-dimensional donor-acceptor model polymers

Böhm, M. C., & Vogler, H. (1983). Band structure properties of one-dimensional donor-acceptor model polymers. Solid State Communications, 46(2), 201-204. doi:10.1016/0038-1098(83)90610-5 Get.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0003-46B6-1 Version Permalink: https://hdl.handle.net/21.11116/0000-0003-46B7-0
Genre: Journal Article

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SolidStateCommun_46_1983_201.pdf (Any fulltext), 307KB
 
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Böhm , M. C., Author
Vogler, Helmut1, Author           
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1Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society, ou_1497706              

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 Abstract: The band structures of one-dimensional donor-acceptor (DA) stacks have been studied by means of the crystal orbital formalism based on a semi-empirical INDO approximation. The model polymers are composed of quinhydrone moieties (1 and 2) with different mutual orientations of D and A. The DA capability was modified by varying the DA distance within the unit cell as well as the effective electronegativity of the active groups of D and A. An insulator-to-metal transition is predicted for 1 at short DA distance and larger differences in the electronegativities of D and A. An avoided crossing between the highest filled and the lowest unfilled ϵ(k) curves is encountered in 2 leading to a finite band gap for all studied DA interaction conditions.

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Language(s): eng - English
 Dates: 1982-11-261983-04
 Publication Status: Issued
 Pages: 4
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/0038-1098(83)90610-5 Get
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Title: Solid State Communications
  Abbreviation : Solid State Commun.
Source Genre: Journal
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Publ. Info: New York : Pergamon
Pages: - Volume / Issue: 46 (2) Sequence Number: - Start / End Page: 201 - 204 Identifier: ISSN: 0038-1098
CoNE: https://pure.mpg.de/cone/journals/resource/954925445695