Blatter Diradicals with a Spin Coupler at the N(1) Position

Author:

Pomikło Dominika1,Kaszyński Piotr123

Affiliation:

1. Centre of Molecular and Macromolecular Studies Polish Academy of Sciences Sienkiewicza 112 90-363 Łódź Poland

2. Faculty of Chemistry University of Łódź Tamka 12 91-403 Łódź Poland

3. Department of Chemistry Middle Tennessee State University Murfreesboro TN-37132 USA

Abstract

AbstractReactions of a benzo[e][1,2,4]triazine with dilithiobenzenes lead to di‐Blatter diradicals connected at the N(1) positions via a spin coupling unit, 1,4‐phenylene or 1,3‐phenylene. Electrochemical analysis in MeCN revealed four one‐electron redox processes separated by 0.1–0.3 V in both diradicals. Variable temperature EPR measurements in polystyrene (PS) solid solutions gave the singlet‐triplet energy gaps ΔES‐T=2 J of −3.02(11) and −0.16(1) kcal mol−1 for 1,4‐phenylene and 1,3‐phenylene derivatives, respectively. The latter negative value was attributed to conformational properties of the diradical in the PS solid solution. Results suggest a simple and efficient access to a family of stable Blatter diradicals with a controllable S−T gap through a judicious choice of the arylene coupling unit. DFT calculations indicate that the triplet state is stabilized by (het)arylenes with low LUMO.

Funder

Narodowe Centrum Nauki

Publisher

Wiley

Subject

General Chemistry,Catalysis,Organic Chemistry

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