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Volumn 49, Issue 18, 2010, Pages 8310-8322

Mössbauer, electron paramagnetic resonance, and density functional theory studies of synthetic S = 1/2 FeIII-O- FeIV=O Complexes. Superexchange-mediated spin transition at the FeIV=O Site

Author keywords

[No Author keywords available]

Indexed keywords

IRON; ORGANOMETALLIC COMPOUND; OXYGEN;

EID: 77956553307     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic100870v     Document Type: Article
Times cited : (22)

References (67)
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    • Bertini, I. D. and Drago, R. S., Eds.; Reidel Publishing Company: Holland
    • Münck, E. and Huynh, B. H. Iron-sulfur Proteins: Combined Mössbauer and EPR Studies. In ESR and NMR of Paramagnetic Species in Biological and Related Systems; Bertini, I. D. and Drago, R. S., Eds.; Reidel Publishing Company: Holland, 1979; pp 275 - 288.
    • (1979) ESR and NMR of Paramagnetic Species in Biological and Related Systems , pp. 275-288
    • Münck, E.1    Huynh, B.H.2
  • 38
    • 0002822447 scopus 로고    scopus 로고
    • 57Fe Mössbauer Spectroscopy
    • Que L. Jr., Ed.; University Science Books: Sausalito, CA
    • 57Fe Mössbauer Spectroscopy. In Physical Methods in Bioinorganic Chemistry; Que, L., Jr., Ed.; University Science Books: Sausalito, CA, 2000; pp 287 - 319.
    • (2000) Physical Methods in Bioinorganic Chemistry , pp. 287-319
    • Münck, E.1
  • 52
    • 77956549761 scopus 로고    scopus 로고
    • III sites of 1-OH and 1-F an anisotropy attributable to spin-dipolar contributions, which is <20% of the anisotropy due to D / J mixing. We do not know the accuracy of this DFT calculated contribution and have therefore not made a correction to the D / J contributions.
    • III sites of 1-OH and 1-F an anisotropy attributable to spin-dipolar contributions, which is <20% of the anisotropy due to D / J mixing. We do not know the accuracy of this DFT calculated contribution and have therefore not made a correction to the D / J contributions.
  • 59
    • 77956536301 scopus 로고    scopus 로고
    • B distance upon reduction of the Fe OH III, is correctly reproduced.
    • B distance upon reduction of the Fe OH III, is correctly reproduced.
  • 60
    • 77956500784 scopus 로고    scopus 로고
    • B bond length is discussed in Supporting Information.
    • B bond length is discussed in Supporting Information.
  • 61
    • 77956522069 scopus 로고    scopus 로고
    • b = 1) is positive and larger in magnitude than in 1-OH and 1-F.
    • b = 1) is positive and larger in magnitude than in 1-OH and 1-F.
  • 65
    • 77956498879 scopus 로고    scopus 로고
    • m.
    • m.
  • 66
    • 0004236045 scopus 로고
    • VCH Publishers, Inc.: New York.
    • Kahn, O. Molecular Magnetism; VCH Publishers, Inc.: New York, 1993.
    • (1993) Molecular Magnetism
    • Kahn, O.1
  • 67
    • 77956553441 scopus 로고    scopus 로고
    • For simplicity, we assume here that the ferromagnetic contributions from ?-π pathways are zero.
    • For simplicity, we assume here that the ferromagnetic contributions from ?-π pathways are zero.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.