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Phenazin-5(10H)-yls, 4. 10-Ethylphenazin-5(10H)-yl · H2O: Crystal Structure, Magnetic Susceptibility and Intermolecular π-π Interactions (Pimerization)

✍ Scribed by Gleiter, Marco R. ;Krieger, Claus ;Neugebauer, Franz A. ;Kremer, Reinhard K.

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
436 KB
Volume
1996
Category
Article
ISSN
0947-3440

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✦ Synopsis

Abstract

The unit cell of 10‐ethylphenazin‐5(10__H__)yl · H~2~O consists of eight phenazin‐5(10__H__)‐yls that are arranged in four independent radical pairs A–D. All pairs show close interplanar distances (3.28–3.36 Å). Furthermore, A, B, and D are characterized by short intermolecular contacts between atoms with significant spin populations. This is not valid for the pair C with the closest interplanar distance of 3.28 Å. Magnetic susceptibility measurements as a function of temperature indicate complete spin pairing (“pimerization”) between 20 and 100 K. Therefore, the radical pair C provides evidence that unspecific close interplanar contacts together with a reasonable overlap of the π systems are sufficient to lead to pimerization.

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