1,3-Alternate calix[4]arene nitronyl nitroxide tetraradical and diradical: synthesis, X-ray crystallography, paramagnetic NMR spectroscopy, EPR spectroscopy, and magnetic studies

Tetrahedron

Volumn 63, Issue 44, 2007, Pages 10731-10742

  Rajca, Andrzej ^a   Pink, Maren ^b   Mukherjee, Sumit ^a   Rajca, Suchada ^a   Das, Kausik ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

^b INDIANA UNIVERSITY   (United States)

Author keywords

Calixarene; Diradical; Magnetic properties; Nitroxide; Paramagnetic NMR spectroscopy; Tetraradical

Indexed keywords

CALIX[4]ARENE DERIVATIVE; CALIXARENE; NITROXIDE; UNCLASSIFIED DRUG;

ARTICLE; ELECTRON SPIN RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; SYNTHESIS; X RAY CRYSTALLOGRAPHY;

EID: 34548697728     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tet.2007.07.051     Document Type: Article

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53. 3, where r is the radical-radical distance.
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57. In addition to intermolecular radical-radical O⋯O distances of 4.5-6.1 Å, network of short intermolecular radical-radical O⋯C distances may be identified. For example, the O1-C6(meta) contacts at 3.442 Å are between aryl nitronyl nitroxide moieties in the adjacent spiroconjugated diradical molecules, thus effectively forming dimers, i.e., antiferromagnetically coupled pairs of S=1/2 spins. The presence of two O1-C6(meta) contacts per pair, which may be viewed as two parallel exchange coupling pathways, will further amplify the strength of the antiferromagnetic coupling (Ref. 49).
58. s|=2 transitions in diradicals with small values of |D/hc|.
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