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Journal Article

Phenazin-5(10H)-yls, 4. 10-ethylphenazin-5(10H)-yl · H2O: Crystal structure, magnetic susceptibility and intermolecular - interactions (pimerization)

MPS-Authors
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Krieger,  Claus
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

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Neugebauer,  Franz A.
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

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http://onlinelibrary.wiley.com/doi/10.1002/jlac.199619961121/pdf
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http://dx.doi.org/10.1002/jlac.199619961121
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Citation

Gleiter, M. R., Krieger, C., Neugebauer, F. A., & Kremer, R. K. (1996). Phenazin-5(10H)-yls, 4. 10-ethylphenazin-5(10H)-yl · H2O: Crystal structure, magnetic susceptibility and intermolecular - interactions (pimerization). Liebigs Annalen der Chemie, 1996(11), 1867-1870. doi:10.1002/jlac.199619961121.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0024-238B-4
Abstract
The unit cell of 10-ethylphenazin-5(10H)yl · H2O consists of eight phenazin-5(10H)-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 systems are sufficient to lead to pimerization