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  Polaronic high-spin pi-conjugated 1-D polymers with polymethine radicals within the elementary units

Tyutyulkov, N., Baumgarten, M., & Dietz, F. (2002). Polaronic high-spin pi-conjugated 1-D polymers with polymethine radicals within the elementary units. Chemical Physics Letters, 353(3-4), 231-238. doi:10.1016/S0009-2614(02)00030-1.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-000F-6685-C Version Permalink: http://hdl.handle.net/21.11116/0000-0005-C2F5-B
Genre: Journal Article

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 Creators:
Tyutyulkov, N.1, Author              
Baumgarten, Martin1, Author              
Dietz, F., Author
Affiliations:
1MPI for Polymer Research, Max Planck Society, ou_1309545              

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 Abstract: The structure and the magnetic properties of polaronic high- spin (HS) pi-conjugated one-dimensional (1-D) polymers (systems) with stable polymethine radicals of Wurster's and Weitz types within the elementary units have been investigated theoretically. Using the band theory the nature and magnitude of the magnetic coupling between the electrons within the half- filled band (HFB) of the polymers were determined. It was shown that the electrons are ferromagnetically (FM) coupled with an effective exchange integral J(eff) similar to 0.1 eV for polymers with Wurster's type radicals, and J(eff) similar to 0.01 eV of polymers with Weitz type radicals, respectively. (C) 2002 Elsevier Science B.V. All rights reserved.

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Language(s): eng - English
 Dates: 2002-02-19
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: No review
 Identifiers: eDoc: 28548
ISI: 000174012800007
DOI: 10.1016/S0009-2614(02)00030-1
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Title: Chemical Physics Letters
  Alternative Title : Chem. Phys. Lett.
Source Genre: Journal
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Publ. Info: -
Pages: - Volume / Issue: 353 (3-4) Sequence Number: - Start / End Page: 231 - 238 Identifier: ISSN: 0009-2614