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Volumn 131, Issue 13, 2009, Pages 4560-4561

Bistability of magnetization without spin-transition in a high-spin cobalt(II) complex due to angular momentum quenching

Author keywords

[No Author keywords available]

Indexed keywords

ABRUPT TRANSITION; BI-STABILITY; COBALT COMPLEXES; DFT CALCULATION; HIGH SPIN STATE; HIGH TEMPERATURE; NEW APPROACHES; NITRATE IONS; OXIDATION STATE; PYRAZINE; QUENCHING MECHANISMS; SPIN TRANSITION; TEMPERATURE RANGE; XRD MEASUREMENTS;

EID: 67949083452     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja808448j     Document Type: Article
Times cited : (59)

References (22)
  • 1
    • 67949108646 scopus 로고    scopus 로고
    • Miller, J. S, Drillon, M, Eds, Wiley&Sons: New York, Vols
    • Magnetism: Molecules to Materials; Miller, J. S., Drillon, M., Eds.; Wiley&Sons: New York, 2001; Vols. II and IV.
    • (2001) Magnetism: Molecules to Materials , vol.II and IV
  • 4
    • 67949084177 scopus 로고    scopus 로고
    • For reviews on spin-crossover effect, see: (a) Topics in Current Chemistry (Spin CrossoVer in Transition Metal Compounds I-III); Gütlich, P., Goodwin, H. A., Eds.; Springer: Berlin/Heidelberg, 2004; Vols. 233-235.
    • For reviews on spin-crossover effect, see: (a) Topics in Current Chemistry (Spin CrossoVer in Transition Metal Compounds I-III); Gütlich, P., Goodwin, H. A., Eds.; Springer: Berlin/Heidelberg, 2004; Vols. 233-235.
  • 12
    • 0004236045 scopus 로고
    • Wiley-VCH Publishers, Inc, New-York, NY
    • Kahn, O. Molecular Magnetism; Wiley-VCH Publishers, Inc.: New-York, NY, 1993.
    • (1993) Molecular Magnetism
    • Kahn, O.1
  • 13
    • 0000930597 scopus 로고
    • Wilkinson, G, Ed, Pergamon Press: Oxford, U.K
    • (a) Hathaway, B. J. Oxyanions. In ComprehensiVe Coordination Chemistry, Wilkinson, G., Ed.; Pergamon Press: Oxford, U.K., 1987; Vol. 1, pp 413- 434.
    • (1987) ComprehensiVe Coordination Chemistry , vol.1 , pp. 413-434
    • Hathaway, B.J.O.1
  • 16
    • 67949116260 scopus 로고    scopus 로고
    • Synthesis of ligand L was carried out analogous to ref 11. 1H NMR (270 MHz, 25?C, CDCl3): δ ) 6.56 (dd, J ) 1.6, 2.6 Hz, 2 H, pyrazole), 7.83 (d, J ) 1.6 Hz, 2 H, pyrazole), 8.52 (dd, J ) 0.7, 2.6 Hz, 2 H, pyrazole), 9.21 (s, 2 H, pyrazine). In a test tube a solution of ligand L in acetone (0.02 mol/L) was slowly layered on a solution of Co(NO3)2 ·6H2O in acetone (0.02 mol/L). Violet/purple prismatic crystals of 1 appeared after 1 or 2 days. Elemental analysis: observed value (element, theoretical value) ) 30.22% (C, 30.40%), 2.11% (H, 2.04%), 28.11% (N, 28.36%).
    • Synthesis of ligand L was carried out analogous to ref 11. 1H NMR (270 MHz, 25?C, CDCl3): δ ) 6.56 (dd, J ) 1.6, 2.6 Hz, 2 H, pyrazole), 7.83 (d, J ) 1.6 Hz, 2 H, pyrazole), 8.52 (dd, J ) 0.7, 2.6 Hz, 2 H, pyrazole), 9.21 (s, 2 H, pyrazine). In a test tube a solution of ligand L in acetone (0.02 mol/L) was slowly layered on a solution of Co(NO3)2 ·6H2O in acetone (0.02 mol/L). Violet/purple prismatic crystals of 1 appeared after 1 or 2 days. Elemental analysis: observed value (element, theoretical value) ) 30.22% (C, 30.40%), 2.11% (H, 2.04%), 28.11% (N, 28.36%).
  • 19
    • 67949111664 scopus 로고    scopus 로고
    • Frisch, M. J. Gaussian 03, revision D.02; Gaussian, Inc.: Wallingford, CT, 2004.
    • Frisch, M. J. Gaussian 03, revision D.02; Gaussian, Inc.: Wallingford, CT, 2004.
  • 20
    • 67949113302 scopus 로고    scopus 로고
    • At the single molecule level, the geometry with dihedral angles N1-Co- O1-O2/N-Co-O3-O4 symmetrically approaching 180°as observed at high temperature is in fact a transition state with an ∼4 kcal/mol barrier between two equivalent potential wells
    • At the single molecule level, the geometry with dihedral angles N1-Co- O1-O2/N-Co-O3-O4 symmetrically approaching 180°as observed at high temperature is in fact a transition state with an ∼4 kcal/mol barrier between two equivalent potential wells.
  • 21
    • 67949093445 scopus 로고    scopus 로고
    • DFT is a single-reference method and, therefore, less accurate when applied in systems with orbitally near-degenerate ground states such as 1. TDDFT most probably significantly overestimates such small excitation energies.
    • DFT is a single-reference method and, therefore, less accurate when applied in systems with orbitally near-degenerate ground states such as 1. TDDFT most probably significantly overestimates such small excitation energies.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.