Phenazin‐5(10 H )‐yls, 4 . 10‐Ethylphenazin‐5(10 H )‐yl · H 2 O: Crystal Structure, Magnetic Susceptibility and Intermolecular π‐π Interactions (Pimerization) | Zendy

Gleiter Marco R. | Zendy; Krieger Claus | Zendy; Neugebauer Franz A. | Zendy; Kremer Reinhard K. | Zendy

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Phenazin‐5(10 H )‐yls, 4 . 10‐Ethylphenazin‐5(10 H )‐yl · H 2 O: Crystal Structure, Magnetic Susceptibility and Intermolecular π‐π Interactions (Pimerization)

Author(s) -

Gleiter Marco R.,

Krieger Claus,

Neugebauer Franz A.,

Kremer Reinhard K.

Publication year - 1996

Publication title -

liebigs annalen

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.825

H-Index - 155

eISSN - 1099-0690

pISSN - 0947-3440

DOI - 10.1002/jlac.199619961121

Subject(s) - chemistry , intermolecular force , magnetic susceptibility , crystallography , pairing , crystal structure , spin (aerodynamics) , intermolecular interaction , stereochemistry , condensed matter physics , molecule , physics , thermodynamics , superconductivity , organic chemistry

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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