Table of Contents
Crystals, Volume 8, Issue 9 (September 2018)
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Cover Story (view full-size image) The last nitronyl nitroxide bearing azolyl-substituent, namely [...] Read more. The last nitronyl nitroxide bearing azolyl-substituent, namely 2-(1Н-tetrazol-5-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1Н-imidazol-3-oxide-1-oxyl, was isolated in a neutral form. In the crystal state, these nitroxides form intermolecular H-bonds connecting the radicals, thus forming infinite chains. Inside the chains, there are short intermolecular contacts (3.096 Å) between O and C atoms possessing spin densities of opposite signs; this explains the occurrence of ferromagnetic exchange coupling (J 20 cm1) between the radicals inside the chain predicted by BS-DFT. View this paper