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Crystal Packing and Magnetism in Phenolic Nitronylnitroxides: 2‑(3′,5′-Dimethoxy-4′-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro‑1<i>H</i>‑imidazole-1-oxyl

By Gonca Seber (1995529), Rafael S. Freitas (1995532), Nei Fernandes Oliveira (1995535) and Paul M. Lahti (1510615)


2-(3′,5′-Dimethoxy-4′-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H-</i>imidazole-1-oxyl (SyrNN) forms a hydrogen bonded network of contacts involving phenolic OH and nitronylnitroxide methyl groups as donors, and nitronylnitroxide NO groups as acceptors. The SyrNN intermolecular contact network is quite similar to that of 2-(4′-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H-</i>imidazole-1-oxyl (HOPhNN) (Cirujeda et al., <i>J. Mater. Chem</i>. <b>1995</b>, <i>5</i>, 243–252), which shows ferromagnetic exchange interactions, but SyrNN has an additional antiparallel stacking contact between nitronylnitroxide NO groups that qualitatively and computationally is expected to induce antiferromagnetic (AFM) exchange between SyrNN molecules. Experimentally, the magnetism of SyrNN shows evidence of multiple exchange interactions with overall low dimensional AFM exchange behavior. Fits of dc magnetic susceptibility versus temperature data for SyrNN to AFM 1-D chain and 2-D square planar models give <i>J</i>/<i>k</i> ∼ (−)­1–3 K

Topics: Biophysics, Biochemistry, Physiology, Pharmacology, Biotechnology, Immunology, Cancer, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, AFM exchange behavior, exchange interactions, nitronylnitroxide methyl groups, SyrNN, OH, contact
Year: 2013
DOI identifier: 10.1021/cg301601c.s001
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Provided by: FigShare
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