Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2',5'-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide.

Abstract

The ferromagnetic phenyl nitronyl nitroxide derivate alpha-phase 2-(2('),5(')-dihydroxyphenyl)- 4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide has been studied by the electronic structure calculation based on the density functional theory. The result shows that the spin delocalization due to hyperconjugation effect plays an important role in… (More)

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Cite this paper

@article{Zhang2006SpinDA, title={Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2',5'-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide.}, author={Y. S. Zhang and Kai Yao and Z. Lewis Liu and L. H. Yu and X. L. Wang}, journal={The Journal of chemical physics}, year={2006}, volume={124 14}, pages={144712} }