Bandstruktur der linearen Polyacene-Reference-Cited by-同舟云学术

Bandstruktur der linearen Polyacene

Published:1975-10-01 Issue:10 Volume:30 Page:1308-1310
ISSN:1865-7109
Container-title:Zeitschrift für Naturforschung A
language:en
Short-container-title:

Author:

Tyutyulkov N. N.¹²,Polansky O. E.¹,Fabian J.³

Affiliation:

1. Institut für Strahlenchemie im Max-Planck-Institut für Kohlenforschung, Mülheim a. d. Ruhr, BRD

2. Ständige Anschrift: Institut für Organische Chemie der „Bulgarische Akademie der Wissenschaften", Sofia.

3. Sektion Chemie der „Technische Universität", Dresden, DDR

Abstract

Abstract For infinite polyacenes the energy gap (ΔE∞) is given by ΔE =

, where Δcorr is a factor determined by the electronic correlation and Δgeom is a molecular geometry dependent factor. We find in the selected case Δcorr>Δgeom .The energy gap values calculated with this formula are in good agreement with the values calculated from the spectroscopic data of polyacenes (0.8-0.9 eV).

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

Link

https://www.degruyter.com/document/doi/10.1515/zna-1975-1016/pdf

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