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Charge photogeneration in carbazole-containing compounds and valency bands of oligomers

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Physics of Polymer Networks

Part of the book series: Progress in Colloid & Polymer Science ((PROGCOLLOID,volume 90))

Abstract

Quantum chemical investigations of the electronic structure of the design carbazole (Cz)-containing supermolecules, supramolecules, oligovinylcarbazole (OVK) and oligoepoxypropylcarbazole (OEPK) were performed in the framework of the semiempirical modified neglect of differential overlap (MNDO) method. The data obtained show that donor-acceptor properties of supermolecules: Cz-σ (or π) bridge-acceptors slightly depend on: 1) the number of alkane or alkene groups in the bridges, 2) the presence of π bonds, and 3) the various conformations in the bridge. Equilibrium distances between Cz and acceptor molecules in the supramolecular complexes and the sequence of the stability are found taken into account the oriented electrostatic attraction forces. There is a small charge redistribution in the ground state of the Cz-containing supermolecules and supramolecules. These designed derivatives are potential molecular photodiodes. The MNDO calculation data obtained show that the valence bands of the OVK and OEPK are narrow, therefore there is a electron hole hopping transfer mechanism in these systems.

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Authors and Affiliations

  1. Institute of Theoretical Physics and Astronomy, Vilnius, Lithuania

    A. Tamulis

  2. Polytechnic Institute of Nizhniii Novgorod, Nizhnii Novogord, Russia

    L. Bazhan

Authors
  1. A. Tamulis
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  2. L. Bazhan
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© 1992 Dr. Dietrich Steinkopff Verlag GmbH & Co. KG

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Tamulis, A., Bazhan, L. (1992). Charge photogeneration in carbazole-containing compounds and valency bands of oligomers. In: Physics of Polymer Networks. Progress in Colloid & Polymer Science, vol 90. Steinkopff. https://doi.org/10.1007/BFb0115499

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  • DOI: https://doi.org/10.1007/BFb0115499

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  • Publisher Name: Steinkopff

  • Print ISBN: 978-3-7985-0914-6

  • Online ISBN: 978-3-7985-1679-3

  • eBook Packages: Springer Book Archive

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