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Recently, a similar approach was carried out by Raija et al. to investigate magnetic properties of calix[4]arene-based nitroxide radicals; A. Rajca, S. Mukherjee, M. Pink, S. Rajca, J. Am. Chem. Soc. 2006, 128, 13497-13507.
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Recently, a similar approach was carried out by Raija et al. to investigate magnetic properties of calix[4]arene-based nitroxide radicals; A. Rajca, S. Mukherjee, M. Pink, S. Rajca, J. Am. Chem. Soc. 2006, 128, 13497-13507.
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X-ray crystal structure analysis of 1: An orange-red block (0.5 x 0.1 x 0.15 mm) of 1 for the X-ray crystal structure analysis was prepared by slow evaporation of a diethyl ether solution of 1. Diffraction data were obtained with 2θmax, 55.0° at 24°C. C 56H80N4O4·C4H 10O, Mr, 947.38, Triclinic, space group P1, a, 12.22(1, b, 15.62(1, c, 15.76(1) Å, α, 62.68(3, β, 84.65(4, γ, 83.16(4)°, V, 2651(4) Å3 and ρcalcd, 1.144 g cm-3 for Z, 2. Anisotropic temperature factors were applied for non-hydrogen atoms. Hydrogen atoms with isotropic thermal parameters were refined as riding models. Refinement converged at R, 0.107 and Rw, 0.159 for 5032 observed reflections, with I > 3σ (I) and 6
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w = 0.159 for 5032 observed reflections, with I > 3σ (I) and 690 variables. CCDC 669668 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
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19
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53549125630
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This type of the skeleton having many methyl groups is rigid over a wide temperature range; see reference [9
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This type of the skeleton having many methyl groups is rigid over a wide temperature range; see reference [9].
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20
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0003397411
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Springer, Berlin
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A. Bencini, D. Gatteschi, Electron Paramagnetic Resonance of Exchange Coupled Systems, Springer, Berlin, 1990, pp. 48-85.
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Bencini, A.1
Gatteschi, D.2
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21
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53549090803
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The location and fine-structure parameters of the thermally accessible triplet states from tetraradical 1 were theoretically calculated, and are in agreement with the experimental result
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The location and fine-structure parameters of the thermally accessible triplet states from tetraradical 1 were theoretically calculated, and are in agreement with the experimental result.
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22
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53549106440
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It is noted that minor contributions from quartet species with slightly different fine-structure parameters to the observed spectrum are not included in the present spectral simulation
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It is noted that minor contributions from quartet species with slightly different fine-structure parameters to the observed spectrum are not included in the present spectral simulation.
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