2-(4'-Azidophenyl)nitronylnitroxide

Crystal analysis by Clifford George for Jiang Lan.
Magnetic Analysis by Fernando Palacio and Michel Julier.

This molecule was first synthesized by Burak Esat using 4-azidobenzaldehyde synthsized by Richard Walton.   It acts as an excellent photochemical precursor to a quartet state molecule that delocalizes spin between a nitrenophenyl ring and the nitronylnitroxide.  This was published as a preliminary communication in Paul M. Lahti, Burak Esat, Richard Walton, J. Am. Chem. Soc., 120, 5122-5123 (1998). The synthesis was improved by Jiang Lan and Paul Serwinski, sufficiently to obtain a crystal structure, and further details were published in Paul M. Lahti, Burak Esat, Yi Liao, Paul Serwinski, Jiang Lan, Richard Walton, Polyhedron, 20, 1647-1652 (2001).

Magnetic analysis by the Palacio group showed the system to have essentially paramagnetic behavior, with almost no communication between spin units. A small, negative Weiss constant was found, -2.5 K.


Structural Manipulations

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...Single Molecule ...Inversion center
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See also the Lahti group WWW page for further crystal data.

CIF-derived Tables of crystallographic data
Download CIF file for this molecule
Magnetic behavior for this molecule
Download Mercury file for this molecule

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