A New Type of Non-Kekulé Diradicals with Triplet Ground States. I. Polymethine Systems-Reference-Cited by-同舟云学术

A New Type of Non-Kekulé Diradicals with Triplet Ground States. I. Polymethine Systems

Published:2006-02-01 Issue:2 Volume:61 Page:182-188
ISSN:1865-7117
Container-title:Zeitschrift für Naturforschung B
language:en
Short-container-title:

Author:

Tyutyulkov Nikolai¹²,Drebov Nedko¹²,Müllen Klaus³,Dietz Fritz²

Affiliation:

1. Chair of Physical Chemistry, Faculty of Chemistry, University of Sofia, BG-1126, Sofia, Bulgaria

2. Universität Leipzig, Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Johannisallee 29, D-04103 Leipzig, Germany

3. Max-Planck-Institut für Polymerforschung, Ackermannweg 10, D-55128 Mainz, Germany

Abstract

Abstract It is shown theoretically that the ground state of a new class of non-Kekulé polymethine molecules can be a triplet state with non-degenerate singly occupied MOs. The investigated polymethine cyanine cations, polymethine oxonol anions, and neutral polymethine merocyanines are derivatives of the stable 2-azaphenalenyl radical whose pentamethine fragment is part of the polymethine chain.

Publisher

Walter de Gruyter GmbH

Subject

General Chemistry

Link

https://www.degruyter.com/document/doi/10.1515/znb-2006-0211/pdf

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