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Volumn , Issue 22, 2009, Pages 3219-3225

Tuning electronic properties of biomimetic [2Fe-2S] clusters by ligand variations

Author keywords

Bioinorganic chemistry; Iron; Ligand effects; S ligands; Sulfur

Indexed keywords

BIOCHEMISTRY; BIOMIMETICS; CHELATION; ELECTRONIC PROPERTIES; IRON; LIGANDS; ULTRAVIOLET VISIBLE SPECTROSCOPY;

EID: 67949117059     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200900101     Document Type: Article
Times cited : (16)

References (31)
  • 1
    • 85163248721 scopus 로고    scopus 로고
    • a. M. Fontecave, Nature Chem. Biol. 2006, 2, 171-174;
    • a.) M. Fontecave, Nature Chem. Biol. 2006, 2, 171-174;
  • 5
    • 85163242611 scopus 로고    scopus 로고
    • a. H. Ding, B. Demple, Proc. Natl. Acad. Sci. USA 1997, 94, 8445-8449;
    • a.) H. Ding, B. Demple, Proc. Natl. Acad. Sci. USA 1997, 94, 8445-8449;
  • 31
    • 85163244653 scopus 로고    scopus 로고
    • A. Hamiltonian in the form. Ĥ, 2JŜ1, Ŝ2, gμB(S1, S2).B was used. Simulation of the experimental magnetic data with a full-matrix diagonalization of exchange coupling and Zeeman splitting was performed with the julX program (E. Bill, Max-Planck-Institut für Bioanorganische Chemie, Mülheim an der Ruhr, Germany, Before simulation, the experimental data were corrected for the underlying diamagnetism by using tabu-lated Pascal constants (incremental method) and for tempera-ture-independent paramagnetism (TIP, A Curie, Weiss-be-haved paramagnetic impurity (PI) with spin S, 5/2 was in-cluded according to χ, 1- PI, χ, PI.χmono. Best fit param-eters for 1 J, 180 cm-1, g, 2.000 (fixed, PI= 1.7, χ(TIP, 35.3 X 10-6 cm 3 mol-1; for 2: J, 158 cm-1, g, 2.000 fixed, PI, 0.9
    • -1.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.