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Volumn 47, Issue 21, 2008, Pages 3988-3990

Macrocyclic high-spin (S = 2) molecule: Spin identification of a sterically rigid metacyclophane-based nitroxide tetraradical by two-dimensional electron spin transient nutation spectroscopy

Author keywords

Electron spin transient nutation; EPR spectroscopy; High spin systems; Macrocycles; Radicals

Indexed keywords

CHEMICAL REACTIONS; ELECTRONS; MECHANISMS; PHOTORESISTS; QUANTUM CHEMISTRY;

EID: 53549107773     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200705583     Document Type: Article
Times cited : (23)

References (22)
  • 4
    • 0033517799 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 1999, 38, 3189-3192;
    • (1999) Angew. Chem. Int. Ed , vol.38 , pp. 3189-3192
  • 14
    • 33750087855 scopus 로고    scopus 로고
    • 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.
    • 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.
  • 17
    • 53549093137 scopus 로고    scopus 로고
    • 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
    • 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.
  • 19
    • 53549125630 scopus 로고    scopus 로고
    • This type of the skeleton having many methyl groups is rigid over a wide temperature range; see reference [9
    • This type of the skeleton having many methyl groups is rigid over a wide temperature range; see reference [9].
  • 21
    • 53549090803 scopus 로고    scopus 로고
    • 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
    • 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.
  • 22
    • 53549106440 scopus 로고    scopus 로고
    • 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
    • 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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