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Volumn 47, Issue 5, 2008, Pages 1586-1596

Secondary bonding interactions in biomimetic [2Fe-2S] clusters

Author keywords

[No Author keywords available]

Indexed keywords

IRON; SULFUR;

EID: 41849088837     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic702095a     Document Type: Article
Times cited : (21)

References (47)
  • 7
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    • Care should be taken when discussing the Fe⋯N distances because of the relatively low resolution (3.4 Å) of the crystal structure determination.
    • Care should be taken when discussing the Fe⋯N distances because of the relatively low resolution (3.4 Å) of the crystal structure determination.
  • 19
    • 41849102867 scopus 로고    scopus 로고
    • Ballmann, J.; Dechert, S.; Meyer, F. unpublished results.
    • Ballmann, J.; Dechert, S.; Meyer, F. unpublished results.
  • 25
    • 41849119284 scopus 로고    scopus 로고
    • 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 Institute for Bioinorganic Chemistry, Mülheim/Ruhr, Germany, Before simulation, the experimental data were corrected for the underlying diamagnetism by using tabulated Pascal constants (incremental method) and for temperature-independent paramagnetism (TIP, A Curie-Weiss-behaved paramagnetic impurity (PI) with spin S =5/2 was included according to c, 1 -PI)·c, PI· cmono. Best fit parameters are the following; for 1 C J, 197 cm-1, PI, 1.7, c(TIP, 100 × 10-6 cm3/mol, g, 2.000 (fixed, θmono, 3.0 K (fixed, for 1O J, 180 cm-1, PI, 0.5, cTIP, 405 × 10-6 cm3/mol, g
    • mono = -1.0 K (fixed).
  • 38
    • 41849090580 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Kiene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Kiene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K., Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
  • 44
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    • Program for Crystal Structure Solution; University of Göttingen: Göttingen, Germany
    • (b) Sheldrick, G. M. SHELXS-97, Program for Crystal Structure Solution; University of Göttingen: Göttingen, Germany, 1997.
    • (1997) SHELXS-97
    • Sheldrick, G.M.1
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    • X-AREA;, Darmstadt, Germany
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.