Simulation Strategies for Unusual EPR Spectra of Binuclear Mixed-Valence Manganese Complexes: Synthesis, Properties, and X-ray Structures of the MnIIMnIIIComplexes [Mn2(bpmp)(μ-OAc)2](ClO4)2*H2O and [Mn2(bcmp)(μ-OAc)2](ClO4)2-CH2Cl2

Journal of the American Chemical Society

Volumn 111, Issue 14, 1989, Pages 5102-5114

  Diril, Habibe ^a   Zhang, Xiaohua ^a   Potenza, Joseph A ^a   Schugar, Harvey J ^a   Isied, Stephan S ^a   Chang, Hsiu Rone ^b   Nilges, Mark J ^b   Hendrickson, David N ^c  

^a RUTGERS UNIVERSITY   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33845183377     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00196a013     Document Type: Article

References (49)

1. (a) Renger, G. Angew. Chem., Int. Ed. Engl. 1987, 26, 643. (b) Dismukes, G. C. Photochem. Photobiol. 1986, 43, 99–115. (c) Govindjee; Kambara, T.; Coleman, W. Photochem. Photobiol. 1985, 42, 187–210. (d) Kambara, T.; Govindjee Proc. Natl. Acad. Sci. U.S.A. 1985, 82, 6119–6123. (e) Amesz, J. Biochim. Biophys. 1983, 726, 1–12. (f) Livorness, J.; Smith, T. D. Struct. Bonding (Berlin) 1982, 48, 2–44. (g) Sauer, K. Acc. Chem. Res. 1980, 13, 249–256. (h) Radmer, R.; Cheniae, G. In Topics in Photosynthesis; Barber, J., Ed.; Elsevier: Amsterdam, 1977. (i) Dismukes, G. C. The Organization and Function of Manganese in the Water-Oxidizing Complex of Photosynthesis; Academic: New York, 1986; Chapter 16, p 275.
2. Joliot, P.; Barbieri, G.; Chaband, R. Photochem. Photobiol. 1969, 10, 302.
3. Kok, B.; Forbush, B.; McGloin, M. P. Photochem. Photobiol. 1970, 11, 457.
4. (a) Kirby, J. A.; Robertson, A. S.; Smith, J. P.; Thompson, A. C.; Cooper, S. R.; Klein, M. P. J. Am. Chem. Soc. 1981, 103, 5529–5537. (b) Nair, B. U.; Dismukes, G. C. J. Am. Chem. Soc. 1983, 105, 124–125. (c) Mathur, P.; Dismukes, G. C. Photochem. Photobiol. 1983, 105, 7093–7098. (d) Wieghardt, K.; Bossek, U.; Ventur, D.; Weiss, J. J. Chem. Soc., Chem. Commun. 1985, 347–349. (e) Okawa, H.; Honda, A.; Nakamura, M.; Kida, S. J. Chem. Soc., Dalton Trans. 1985, 59–64. (f) Mabad, B.; Cassoux, P,; Tuchagues, J. P.; Hendrickson, D. N. Inorg. Chem. 1986, 25, 1420–1431. (g) Pavacik, P. S.; Huffman, J. C.; Christou, G. J. Chem. Soc., Chem. Commun. 1986, 43–44. (h) Lynch, M. W.; Hendrickson, D. N.; Fitzgerald, B. J.; Pierpont, C. G. J. Am. Chem. Soc. 1984, 106, 2041–2049. (i) Mabad, B.; Tuchagues, J. P.; Hwang, Y. T.; Hendrickson, D. N. J. Am. Chem. Soc. 1985, 107, 2801–2802. (j) Boucher, L. J.; Coe, C. G. Inorg. Chem. 1975, 14, 1289–1295. (k) Cooper, S. R.; Calvin, M. J. Am. Chem. Soc. 1977, 99, 6623. (1) Cooper, S. R.; Dismukes, G. C.; Klein, M. P.; Calvin, M. Photochem. Photobiol. 1978, 100, 7248. (m) Vincent, J. B.; Folting, K.; Huffman, J. C.; Christou, G. Inorg. Chem. 1986, 25, 996–999. (n) Sheats, J. E.; Czernuszewics, R. S.; Dismukes, G. C.; Rheingold, A. L.; Petrouleas, V.; Stubbe, J.; Armstrong, E. H.; Beer, R. H.; Lippard, S. J. J. Am. Chem. Soc. 1987, 109, 1435–1444. (o) Vincent, J. B.; Christou, G. Inorg. Chim. Acta 1987, L41-L43. (p) Wieghardt, K.; Bossek, U.; Zsolnai, L.; Huttner, G.; Blondin, G.; Girerd, J. J.; Babonneau, F. J. Chem. Soc., Chem. Commun. 1987, 651–653. (r) Vincent, J. B.; Christmas, C.; Huffman, J. C.; Christou, G.; Chang, H. R.; Hendrickson, D. N. J. Chem. Soc., Chem. Commun. 1987, 236–238.
5. (a) Dismukes, G. C.; Siderer, Y. Proc. Natl. Acad. Sci. U.S.A. 1981, 78, 274–278. (b) Dismukes, G. C.; Ferris, K.; Watnick, P. Photobiochem. Photobiophys. 1982, 3, 243–256. (8) Hansson, O.; Andreasson, L. E. Biochim. Biophys. Acta 1982, 679, 261–268.
6. Suzuki, M.; Mikuriya, M.; Murata, S.; Vehara, A.; Oshio, H.; Kida, S.; Saito, K. Bull. Chem. Soc. Jpn. 1987, 60, 4305–4312.
7. (a) Buchanan, R. M.; Oberhausen, K. J.; Richardson, J. F. Inorg. Chem. 1988, 27, 971–973. (b) Dismukes, G. C.; Sheats, J. E.; Smegal, J. A. J. Am. Chem. Soc. 1987, 109, 7202–7203.
8. Diril, H.; Chang, H.-R.; Zhang, X.; Larsen, S. K.; Potenza, J. A.; Pierpont, C. G.; Schugar, H. J.; Isied, S. S.; Hendrickson, D. N. J. Am. Chem. Soc. 1987, 109, 6207–6208.
9. Chang, H.-R.; Diril, H.; Nilges, M. J.; Zhang, X.; Potenza, J. A.; Schugar, H. J.; Hendrickson, D. N.; Isied, S. S. J. Am. Chem, Soc. 1988, 110, 625–627.
10. Suzuki, M.; Kanatomi, J.; Murase, I. Chem. Lett., Chem. Soc. Jpn. 1981, 1745–1748.
11. Diril, H. Ph.D. Thesis, 1988, Rutgers, The State University of New Jersey.
12. Wieghardt, K.; Nuber, B.; Weiss, J. Chem. Ber. 1979, 112, 2220–2230.
13. 2: Bryan, P. S.; Dabrowiak, J. C. Inorg. Chem. 1975, 14, 296–299.
14. Main, P.; Fiske, S. J.; Hull, S. E.; Lessinger, L.; Germain, G.; Declercq, J.-P.; Woolfson, M. M. Multan 82. A System of Computer Programs for the Automatic Solution of Crystal Structures from X-ray Diffraction Data. Universities of York, England and Louvain, Belgium, 1982.
15. Gagne, R. R.; Koval, C. A.; Lisensky, G. C. Inorg. Chem. 1980, 19, 2854–2855.
16. Belford, R. L.; Nilges, M. J. Computer Simulation of EPR Powder Spectra. Symposium on Electron Paramagnetic Resonance Spectroscopy, Rocky Mountain Conference on Analytical Chemistry, Denver, Aug 1979.
17. Guilbault, G. C.; Lubrano, G. J. Anal. Lett. 1968, 1, 725–733.
18. Chandler, J. P. Program 66 of the Quantum Chemistry Program Exchange, Indiana University, Bloomington, IN.
19. Yamaguchi, K.; Sawyer, D. T. Inorg. Chem. 1985, 24, 971–976.
20. Konig, E.; Kremer, S. Ligand Field Energy Diagrams; Plenum Press: New York, 1977; pp 175–200.
21. Marzzaco, C. J.; McClure, D. S. Symp. Faraday Soc., No. 3, 1969, 106–118.
22. Schugar, H. J.; Rossman, G. B. R.; Barraclough, C. G.; Gray, H. B. J. Am. Chem. Soc. 1972, 94, 2683–2690.
23. Mabad, B.; Cassoux, P.; Tuchagues, J.-P.; Hendrickson, D. N. Inorg. Chem. 1986, 25, 1420–1431.
24. Menage, S.; Girerd, J.-J.; Gleizes, A. J. Chem. Soc., Chem. Commun. 1988, 431–432.
25. Li, Q.; Oberhausen, K. J.; Richardson, J. F.; Buchanan, R. M.; Hendrickson, D. N., manuscript in preparation.
26. Baskin, J. S.; Schake, A. R.; Vincent, J. B.; Huffman, J. C.; Christou, G.; Chang, H.-R.; Li, Q.; Hendrickson, D. N. J. Chem. Soc., Chem. Commun. 1988, 700–702.
27. Chang, H.-R.; Larsen, S.; Pierpont, C. G.; Boyd, P. D. W.; Hendrickson, D. N. J. Am. Chem. Soc. 1988, 110, 4565–4576.
28. (a) Wieghardt, K.; Bossek, U.; Bonvoisin, J.; Beauvillain, P.; Girerd, J.-J.; Nuber, B.; Weiss, J.; Heinze, J. Angew. Chem., Int. Ed. Engl. 1986, 25, 1030–1031. (b) Weighardt, K.; Bossek, U.; Zsolnai, L.; Huttner, G.; Blondin, G.; Girerd, J.-J.; Babonneau, F. J. Chem. Soc., Chem. Commun. 1987, 651–653.
29. Stebler, M.; Ludi, A.; Biirgi, H.-B. Inorg. Chem. 1986, 25, 4743–4750.
30. Collins, M. A.; Hodgson, D. J.; Michelsen, K.; Towle, D. K. J. Chem. Soc., Chem. Commun. 1987, 1659–1661.
31. (a) Plaskin, P. M.; Stoufer, R. C.; Mathew, M.; Palenik, G. J. J. Am. Chem. Soc., 1972, 94, 2121. (b) Cooper, S. R.; Dismukes, G. C.; Klein, M. P.; Calvin, M. J. Am. Chem. Soc. 1978, 100, 7248.
32. Hagen, K. S.; Armstrong, W. H.; Hope, H. Inorg. Chem. 1988, 27, 969–971.
33. Ginsberg, A. P. Inorg. Chim. Acta 1971, 5, 45–68.
34. Abragam, A.; Bleaney, B. Electron Paramagnetic Resonance of Transition Ions; Oxford Press: Oxford, 1970.
35. (a) Yonetani, T., et al., J. Biol. Chem. 1970, 245, 2998. (b) Dowsing, R. D.; Gibson, J. F.; Goodgame, M.; Hayward, P. J. J. Chem. Soc. A 1970, 1133–1138. (c) Birdy, R. B.; Goodgame, M. G. J. Chem. Soc., Dalton Trans. 1983, 1469–1471.
36. (a) Dugad, L. B.; Behere, D. V.; Marathe, V. R.; Mitra, S. Chem. Phys. Lett. 1984, 104, 353–356. (b) Kennedy, B. J.; Murray, K. S. Inorg. Chem. 1985, 24, 1552–1557, 1557–1560. (c) Mathe, J.; Schinkel, C. J.; VanAnsted, W. A. Chem. Phys. Lett. 1975, 33, 528–531. (d) Behere, D. V.; Marathe, V. R.; Mitra, S. Chem. Phys. Lett. 1981, 81, 57–61, and references therein.
37. Pedersen, E.; Toftlund, H. Inorg. Chem. 1974, 13, 1603.
38. Gerritsen, H. J.; Sabisky, E. S. Phys. Rev. 1963, 132, 1507.
39. Andresen, H. G. Phys. Rev. 1960, 120, 1606.
40. Low, W.; Suss, J. T. Phys. Rev. 1961, 119, 132.
41. Lavrance, N.; Lambe, V. Phys. Rev. 1963, 132, 1029.
42. Davies, J. J.; Smith, S. R. P.; Wertz, J. E. Phys. Rev. 1969, 178, 608.
43. (a) Oyen, G. L.; Woonton, G. A. Can. J. Phys. 1967, 45, 2975. (b) Simonek, E.; Muller, K. A. J. Phys. Chem. Solids 1970, 31, 1027.
44. Froncisz, W.; Hyde, J. S. J. Chem. Phys. 1980, 73, 3123.
45. Orton, J. W. Electron Paramagnetic Resonance; Gordon and Breach: New York, 1968.
46. Gayda, J.-P.; Gibson, J. F.; Cammack, R.; Hall, D. O.; Mullinger, R. Biochim. Biophys. Acta 1976, 434, 154.
47. Hansson, O.; Aasa, R.; Vanngard, T. Biophys. J. 1987, 51, 825 (52) Khangulov, S. V.; Barynin, V. V.; Melik-Adamyan, V. R.; Grebenko, A. I.; Voevodskaya, N. V.; Blumenfeld, L. A.; Dobryakov, S. N.; II Yasova, B. V. Bioorg. Khim. 1986, 12, 741–748.
48. Fronko, R. M.; Penner-Hahn, J. E.; Bender, C. J. J. Am. Chem. Soc. 1988, 110, 7554–7555.
49. Barynin, V. V.; Vagin, A. A.; Melik-Adamyuan, V. R.; Grebenko, A. I.; Khangulov, S. V.; Popov, A. N.; Andrianova, M. E.; Vainshtein, B. K. Sov. Phys. Dokl. 1986, 31, 457–459.