Tuning tetranuclear manganese-oxo core electronic properties: Adamantane-shaped complexes synthesized by ligand exchange

Inorganic Chemistry

Volumn 44, Issue 14, 2005, Pages 5161-5175

  Dubé, Christopher E ^a,c   Mukhopadhyay, Sumitra ^a,d   Bonitatebus Jr , Peter J ^a,e   Staples, Richard J ^b   Armstrong, William H ^a  

^a BOSTON COLLEGE   (United States)

^b HARVARD UNIVERSITY   (United States)

^c Evergreen Solar Inc   (United States)

^d MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^e GE GLOBAL RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADAMANTANE; CARBOXYLIC ACID; DRUG DERIVATIVE; IMINE; LIGAND; MANGANESE; MANGANESE DERIVATIVE; OXYGEN; PROTON;

ARTICLE; BINDING SITE; CHEMISTRY; ELECTRON; ISOMERISM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXIDATION REDUCTION REACTION; SYNTHESIS; TEMPERATURE; X RAY CRYSTALLOGRAPHY;

ADAMANTANE; BINDING SITES; CARBOXYLIC ACIDS; CRYSTALLOGRAPHY, X-RAY; ELECTRONS; IMINES; ISOMERISM; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MANGANESE; MANGANESE COMPOUNDS; OXIDATION-REDUCTION; OXYGEN; PROTONS; TEMPERATURE;

EID: 22544473027     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic050183w     Document Type: Article

References (139)

1. Mukhopadhyay, S.; Mandal, S. K.; Bhaduri, S.; Armstrong, W. H. Chem. Rev. 2004, 104, 3981-4026.
2. Barber, J. Q. Rev. Biophys. 2003, 36, 71-89.
3. Carrell, T. G.; Tyryshkin, A. M.; Dismukes, G. C. J. Biol. Inorg. Chem. 2002, 7, 2-22.
4. Siegbahn, P. E. M. Inorg. Chem. 2000, 39, 2923-2935.
5. Penner-Hahn, J. E., Structural Characterization of the Mn Site in the Photosynthetic Oxygen-Evolving Complex; Springer-Verlag: Berlin, 1998; Vol. 90, pp 1-36.
6. Yachandra, V. K.; Sauer, K.; Klein, M. P. Chem. Rev. 1996, 96, 2927-2950.
7. Zouni, A.; Witt, H.-T.; Kern, J.; Fromme, P.; Krauss, N.; Saenger, W.; Orth, P. Nature 2001, 409, 739-743.
8. Kamiya, N.; Shen, J.-R. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 98-103.
9. Ferreira, K. N.; Iverson, T. M.; Maghlaoui, K.; Barber, J.; Iwata, S. Science 2004, 303, 1831-1838.
10. Dau, H.; Liebisch, P.; Haumann, M. Phys. Chem. Chem. Phys. 2004, 6, 4781-4792.
11. 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.
12. Penner-Hahn, J. E.; Fronko, R. M.; Pecoraro, V. L.; Yocum, C. F.; Betts, S. D.; Bowlby, N. R. J. Am. Chem. Soc. 1990, 112, 2549-2557.
13. MacLachlan, D. J.; Hallahan, B. J.; Ruffle, S. V.; Nugent, J. H. A.; Evans, M. C. W.; Strange, R. W.; Hasnain, S. S. Biochem. J. 1992, 285, 569-576.
14. DeRose, V. J.; Mukerji, I.; Latimer, M. J.; Yachandra, V. K.; Sauer, K.; Klein, M. P. J. Am. Chem. Soc. 1994, 116, 5239-5249.
15. Debus, R. J. Biochim. Biophys. Acta 2001, 1503, 164-186.
16. Diner, B. A. Biochim. Biophys. Acta 2001, 1503, 147-163.
17. Debus, R. J.; Aznar, C.; Campbell, K. A.; Gregor, W.; Diner, B. A.; Britt, R. D. Biochemistry 2003, 42, 10600-10608.
18. Wieghardt, K.; Bossek, U.; Gebert, W. Angew. Chem., Int. Ed. Engl. 1983, 22, 328-329.
19. Wieghardt, K.; Bossek, U.; Nuber, B.; Weiss, J.; Bonvoisin, J.; Corbella, M.; Vitols, S. E.; Girerd, J. J. J. Am. Chem. Soc. 1988, 110, 7398-7411.
20. Hagen, K. S.; Westmoreland, T. D.; Scott, M. J.; Armstrong, W. H. J. Am. Chem. Soc. 1989, 111, 1907-1909.
21. Dubé, C. E.; Wright, D. W.; Pal, S.; Bonitatebus, P. J., Jr.; Armstrong, W. H. J. Am. Chem. Soc. 1998, 120, 3704-3716.
22. Visser, H.; Dubé, C. E.; Armstrong, W. H.; Sauer, K.; Yachandra, V. K. J. Am. Chem. Soc. 2002, 124, 11008-11017.
23. Dubé, C. E.; Sessoli, R.; Hendrich, M. P.; Gatteschi, D.; Armstrong, W. H. J. Am. Chem. Soc. 1999, 121, 3537-3538.
24. Dubé, C. E.; Wright, D. W.; Armstrong, W. H. Angew. Chem., Int. Ed. 2000, 39, 2169-2172.
25. Dubé, C. E.; Wright, D. W.; Armstrong, W. H. J. Am. Chem. Soc. 1996, 118, 10910-10911.
26. Dunand-Sauthier, M.-N. C.; Deronzier, A.; Piron, A.; Pradon, X.; Menage, S. J. Am. Chem. Soc. 1998, 120, 5373-5380.
27. Philouze, C.; Blondin, G.; Menage, S.; Auger, N.; Girerd, J.; Vigner, D.; Lance, M.; Nierlich, M. Angew. Chem., Int. Ed. Engl. 1992, 31, 1629-1631.
28. Philouze, C.; Blondin, G.; Girerd, J.; Guilhem, J. J. Am. Chem. Soc. 1994, 116, 8557-8565.
29. Blondin, G.; Davydov, R.; Philouze, C.; Charlot, M.-F.; Styring, S.; Åkermark, B.; Girerd, J.-J.; Boussac, A. J. Chem. Soc., Dalton Trans. 1997, 4069-4074.
30. Hendrickson, D. N.; Christou, G.; Schmitt, E. A.; Libby, E.; Baskin, J. S.; Wang, S.; Tsai, H.; Vincent, J. B.; Boyd, P. D. W.; Haffman, J. C.; Folting, K.; Li, Q.; Streib, W. E. J. Am. Chem. Soc. 1992, 114, 2455-2471.
31. Wemple, M. W.; Tsai, H.-L.; Folting, K.; Hendrickson, D. N.; Christou, G. Inorg. Chem. 1993, 32, 2025-2031.
32. Wemple, M. W.; Adams, D. M.; Folting, K.; Hendrickson, D. N.; Christou, G. J. Am. Chem. Soc. 1995, 117, 7275-7276.
33. Aromi, G.; Wemple, M. W.; Aubin, S. J.; Folting, K.; Hendrickson, D. N.; Christou, G. J. Am. Chem. Soc. 1998, 123, 5850-5851.
34. Ruettinger, W. F.; Campana, C.; Dismukes, G. C. J. Am. Chem. Soc. 1997, 119, 6670-6671.
35. Ruettinger, W.; Yagi, M.; Wolf, K.; Bernasek, S.; Dismukes, G. C. J. Am. Chem. Soc. 2000, 122, 10353-10357.
36. Ruettinger, W. F.; Ho, D. M.; Dismukes, G. C. Inorg. Chem. 1999, 38, 1036-1037.
37. Vincent, J. B.; Christmas, C.; Chang, H. R.; Li, Q.; Boyd, P. D. W.; Huffman, J. C.; Hendrickson, D. N.; Christou, G. J. Am. Chem. Soc. 1989, 111, 2086-2097.
38. Libby, E.; McCusker, J. K.; Schmitt, E., A.; Folting, K.; Hendrickson, D. N.; Christou, G. Inorg. Chem. 1991, 30, 3486-3495.
39. Grillo, V. A.; Knapp, M. J.; Bollinger, J. C.; Hendrickson, D. N.; Christou, G. Angew. Chem., Int. Ed. Engl. 1996, 35, 1818-1820.
40. Sanudo, E. C.; Grillo, V. A.; Knapp, M. J.; Bollinger, J. C.; Huffman, J. C.; Hendrickson, D. N.; Christou, G. Inorg. Chem. 2002, 41, 2441-2450.
41. Chan, M. K.; Armstrong, W. H. J. Am. Chem. Soc. 1991, 113, 5055-5057.
42. Kirk, M. L.; Chan, M. K.; Armstrong, W. H.; Solomon, E. I. J. Am. Chem. Soc. 1992, 114, 10432-10440.
43. Mukhopadhyay, S.; Mok, H. J.; Staples, R. J.; Armstrong, W. H. J. Am. Chem. Soc. 2004, 126, 9202-9204.
44. Chen, H.; Faller, J. W.; Crabtree, R. H.; Brudvig, G. W. J. Am. Chem. Soc. 2004, 126, 7345-7349.
45. Mukhopadhyay, S.; Staples, R. J.; Armstrong, W. H. J. Chem. Soc., Chem. Commun. 2002, 864-865.
46. Dau, H.; Iuzzolino, L.; Dittmer, J. Biochim. Biophys. Acta 2001, 1503, 24-39.
47. Haumann, M.; Grabolle, M.; Neisius, T.; Dau, H. FEBS Lett. 2002, 512, 116-120.
48. Liang, W.; Roelofs, T. A.; Cinco, R. M.; Rompel, A.; Latimer, M. J.; Yu, W. O.; Sauer, K.; Klein, M. P.; Yachandra, V. K. J. Am. Chem. Soc. 2000, 122, 3399-3412.
49. Brudvig, G. W.; Crabtree, R. H. Proc. Natl. Acad. Sci. U.S.A. 1986, 83, 4586-4588.
50. Brudvig, G. W.; De Paula, J. C., Progress in Photosynthesis Research. In Progress in Photosynthesis Research; Biggins, J., Ed.; Martinus Nijhoff: The Hague, 1987; Vol. 1, pp 490-498.
51. Christou, G.; Vincent, J. B. Biochim. Biophys. Acta 1987, 895, 259-274.
52. Christou, G.; Vincent, J. B. Structural types in oxide-bridged manganese chemistry: toward a model of the photosynthetic water oxidation center; Washington, 1988; Vol. 1988; p 238-255.
53. Armstrong, W. H.; Mukhopadhyay, S.; Mok, H. J. J. Inorg. Biochem. 2001, 86, 130.
54. Kok, B.; Forbrush, B.; McGloin, M. Photochem. Photobiol. 1970, 11, 457-475.
55. Hoganson, C. W.; Babcock, G. T. Science 1997, 277, 1953-1955.
56. Tommos, C.; Babcock, G. T. Acc. Chem. Res. 1998, 31, 18-25.
57. Vrettos, J. S.; Brudvig, G. W. Philos. Trans. R. Soc. London B 2002, 357, 1395-1405.
58. Vrettos, J. S.; Limburg, J.; Brudvig, G. W. Biochim. Biophys. Acta 2001, 1503, 229-245.
59. Limburg, J.; Vrettos, J. S.; Liable-Sands, L. M.; Rheingold, A. L.; Crabtree, R. H.; Brudvig, G. W. Science 1999, 283, 1524-1527.
60. Law, N. A.; Caudle, M. T.; Pecoraro, V. L. Adv. Inorg. Chem. 1998, 46, 305-440.
61. Barber, J.; Ferreira, K.; Maghlaoui, K.; Iwata, S. Phys. Chem. Chem. Phys. 2004, 6, 4737-4742.
62. Although formation of a Mn(V)=O species in the 83 state is not supported by comparison of the XANES spectrum of a model Mn-(V)=O compound with spectra of the 82 and 83 states of the OEC (J. Am. Chem. Soc. 2004, 126, 8070-8071), formation of a Mn(V)=O species in the 84 state cannot be ruled out.
63. Dau, H.; Liebisch, P.; Haumann, M. Anal. Bioanal. Chem. 2003, 376, 562-583.
64. Iuzzolino, L.; Dittmer, J.; Doerner, W.; Meyer-Klaucke, W.; Dau, H. Biochemistry 1998, 37, 17112-17119.
65. Pal, S.; Chan, M.; Armstrong, W. H. J. Am. Chem. Soc. 1992, 114, 6398-6406.
66. Pal, S.; Olmstead, M. M.; Armstrong, W. H. Inorg. Chem. 1995, 34, 4708-4715.
67. Mandal, S. K.; Armstrong, W. H. Inorg. Chim. Acta 1995, 229, 261-270.
68. Mok, H. J.; Davis, J. A.; Pal, S.; Mandal, S. K.; Armstrong, W. H. Inorg. Chim. Acta 1997, 263, 385-394.
69. Evans, D. J. J. Chem. Soc. 1959, 2003-2005.
70. Dickinson, W. C. Phys. Rev. 1951, 81, 717-731.
71. Live, D. H.; Chan, S. I. Anal. Chem. 1971, 42, 791-792.
72. Mulay, L. N., Theory and Applications of Molecular Paramagnetism. In Theory and Applications of Molecular Paramagnetism; Boudreaux, E. A., Mulay, L. N., Eds.; Wiley: New York, 1976.
73. Connelly, N. G.; Geiger, W. E. Chem. Rev. 1996, 96, 877-910.
74. Chase, B. H.; Downes, A. M. J. Chem. Soc. 1953, 3874-3877.
75. Berchet, G. J. Organic Syntheses; Wiley: New York, 1943; Collect Vol. II, pp 397-399.
76. Bollinger, J. E.; Mague, J. T.; Banks, W. A.; Kastin, A. J.; Roundhill, D. M. Inorg. Chem. 1995, 34, 2143-2152.
77. Fleischer, E. B.; Gebala, A. E.; Levey, A.; Tasker, P. A. J. Org. Chem. 1971, 36, 3042-3044.
78. Spear, R. J.; Dagley, I. J., Organic Energetic Compounds. In Organic Energetic Compounds; Marinkas, P. L., Ed.; Nova Science Publishers: New York, 1994; pp 135-142.
79. Wentworth, R. A. D. Inorg. Chem. 1968, 7, 1030-1032.
80. March, J. Advanced Organic Chemistry, 3rd ed.; Wiley-Interscience: New York, 1985.
81. SMART V 5.050 (NT) Software for the CCD Detector System; Bruker Analytical X-ray Instruments, Inc.: Madison, WI, 1998.
82. SAINT V 5.01 (NT) Software for the CCD Detector System; Bruker Analytical X-ray Instruments, Inc.: Madison, WI, 1998.
83. Blessing, R. H. SADABS. Program for absorption corrections using Siemens CCD based on the method of Robert Blessing. Acta Crystallogr. 1995, A51, 33-38.
84. Sheldrick, G. M. SHELXS-97, Program for the Solution of Crystal Structure; University of Göttingen, Germany, 1997.
85. Sheldrick, G. M. SHELXL-97, Program for the Refinement of Crystal Structure; University of Göttingen, Germany, 1997.
86. SHELXTL 5.10 (PC Version), Program library for Structure Solution and Molecualr Graphics; Bruker Analytical X-ray Systems: Madison, WI, 1998.
87. Swaddle, T. W. Adv. Inorg. Bioinorg. Mech. 1983, 2, 95-138.
88. Swaddle, T. W. Coord. Chem. Rev. 1974, 14, 217-268.
89. There are a number of Cr(III) complexes that are substitutionally labile (stopped-flow regime). See, for example: Beswick, C. L.; Shalders, R. D.; Swaddle, T. W. Inorg. Chem. 1996, 35, 991-994 and references therein.
90. Basolo, F.; Pearson, R. G. Mechanisms of Inorganic Reactions, 2nd ed.; Wiley: New York, 1967.
91. Zhang, L.; Sniping, Y.; Chunhui, L.; Daizheng, L.; Zonghui, J.; Cheng, P.; Wang, G.; Weng, L.; Xuebing, L. J. Chem. Crystallogr. 2000, 30, 251-254.
92. Brewer, K. J.; Calvin, M.; Lumpkin, R. S.; Otvos, J. W.; Spreer, L. O. Inorg. Chem. 1989, 28, 4446-4451.
93. Hagen, K. S.; Armstrong, W. H.; Hope, H. Inorg. Chem. 1988, 27, 7-969.
94. Murahashi, S.-I. Angew. Chem., Int. Ed. Engl. 1995, 34, 2443-2465.
95. Sheldon, R. A.; Kochi, J. K., Metal-Catalyzed Oxidations of Organic Compounds; Academic: New York, 1981.
96. Meunier, B. Biomimetic Oxidations Catalyzed by Transition Metal Complexes; Imperial College Press: London, 2000; p 696.
97. Jain, S. L.; Sain, B. Angew. Chem., Int. Ed. 2003, 42, 1265-1267.
98. Murahashi, S.-I.; Komiya, N.; Terai, H.; Nakae, T. J. Am. Chem. Soc. 2003, 125, 15312-15313.
99. Caudle, M. T.; Pecoraro, V. L. Inorg. Chem. 2000, 39, 5831-5837.
100. py, which are trans to μ-O ligands.
101. Collins, M. A.; Hodgson, D. J.; Michelson, K.; Towle, D. K. J. Chem. Soc., Chem. Commun. 1987, 1659-1660.
102. Goodson, P. A.; Glerup, J.; Hodgson, D. J.; Michelsen, K.; Pedersen, E. Inorg. Chem. 1990, 29, 503-508.
103. Towle, D. K.; Botsford, C. A.; Hodgson, D. Inorg. Chim. Acta 1988, 141, 167-168.
104. Suzuki, M.; Senda, H.; Kobayashi, Y.; Oshio, H.; Uehara, A. Chem. Lett. 1988, 1763-1766.
105. Gohdes, J. W. Ph.D. dissertation, University of California, Berkeley, 1991.
106. Bhaduri, S.; Pink, M.; Christou, G. Chem. Commun. 2002, 2352-2353.
107. Nakamoto, K., Infrared and Roman Data of Inorganic and Coordination Compounds, 5 ed.; John Wiley: New York, 1997; Vols. A & B.
108. Deacon, G. B.; Phillips, R. J. Coord. Chem. Rev. 1980, 33, 227-250.
109. Rardin, R. L.; Tolman, W. B.; Lippard, S. J. New J. Chem. 1991, 15, 417-430.
110. Lever, A. B. P. Inorg. Chem. 1990, 29, 1271-1285.
111. Fielder, S. S.; Osborne, M. C.; Lever, A. B. P.; Pietro, W. J. J. Am. Chem. Soc. 1995, 117, 6990-6993.
112. Thorp, H. H.; Brudvig, G. W. New. J. Chem. 1991, 15, 479-490.
113. Manchanda, R.; Brudvig, G. W.; Crabtree, R. H. Coord. Chem. Rev. 1995, 144, 1-38.
114. Limburg, J.; Szalai, V. A.; Brudvig, G. W. J. Chem. Soc., Dalton Trans. 1999, 1353-1362.
115. -1 K.
116. When H/kT is large, the magnetization M (in units of μg/mol) saturates at a value given by gS.
117. Carlin, R. L. Magnetochemistry; Springer-Verlag: Berlin, 1986; p 15-18.
118. Mikuriya, M.; Yamato, Y.; Tokii, T. Chem. Lett. 1991, 8, 1429-1432.
119. Chandra, S. K.; Chakravorty, A. Inorg. Chem. 1991, 30, 3795-.
120. Aubin, S. M. J.; Dilley, N. R.; Wemple, M. W.; Maple, M. B.; Christou, G.; Hendrickson, D. N. J. Am. Chem. Soc. 1998, 120, 839-840.
121. Chan, M. K.; Armstrong, W. H. J. Am. Chem. Soc. 1989, 111, 9121-9122.
122. Chan, M. K.; Armstrong, W. H. J. Am. Chem. Soc. 1990, 112, 4985-4986.
123. Suzuki, M.; Hayashi, Y.; Munezawa, K.; Suenaga, M.; Senda, H.; Uehara, A. Chem. Lett. 1991, 1929-1932.
124. Afrati, T.; Dendrinou-Samara, C.; Raptopoulou, C. P.; Terzis, A.; Tangoulis, V.; Kessissoglou, D. P. Angew. Chem., Int. Ed. 2002, 41, 2148-2150.
125. Armstrong, W. H.; Dubé, C. E.; Gatteschi, D.; Sessoli, R.; Totti, F.; Noodleman, L. In Magnetic coupling in and reactivity of multinuclear manganese(IV) compounds: Insight from density functional theory, 220th ACS National Meeting, Washington, DC, Aug. 20-24, 2000; American Chemical Society: Washington, DC, 2000.
126. Wright, D. W.; Mok, H. J.; Dubé, C. E.; Armstrong, W. H. Inorg. Chem. 1998, 37, 3714-3718.
127. Mok, H. J. Ph.D., Boston College, Chestnut Hill, MA, 1999.
128. No definitive assignment was made for the 3,3′ pyridyl ring proton resonances of the bpea/R-ida mixed ligand complexes. See: J. Am. Chem. Soc. 1998, 120, 3704-3716 for a tabulation of assignments for the 3,3′ pyridyl ring proton resonances of related complexes.
129. Kramarz, K. W.; Norton, J. R., Progress in Inorganic Chemistry. In Progress in Inorganic Chemistry; Karlin, K. D., Ed.; Wiley: New York, 1994; Vol. 42, pp 1-65.
130. Carroll, J. M.; Norton, J. R. J. Am. Chem. Soc. 1992, 114, 8744-8745.
131. Fox, S.; Alaganandan, N.; Marten, W.; Karlin, K. D.; Blackburn, N. J. J. Am. Chem. Soc. 1996, 118, 24-34.
132. Evans, D. R.; Mathur, R. S.; Heerwegh, K.; Reed, C. A.; Xie, Z. Angew. Chem., Int. Ed. Engl. 1997, 36, 1335-1337.
133. 3CN) - 7.5 (Kristjansdottir, S. S.; Norton, J. R. In Transition Metal Hydrides; Dedieu, A., Ed.; VCH Publishers: New York, 1992; pp 309-359)
134. (Dubé, C. E.; Armstrong, W. H. unpublished results).
135. Baldwin, M. J.; Stemmler, T. L.; Riggs-Gelasco, P. J.; Kirk, M. L.; Penner-Hahn, J. E.; Pecoraro, V. L. J. Am. Chem. Soc. 1994, 116, 11349-11356.
136. Kristjansdottir, S. S.; Norton, J. R. Transition Metal Hydrides. In Transition Metal Hydrides; Dedieu, A., Ed.; VCH Publishers: New York, 1992; pp 309-359.
137. 2 axis.
138. Wieghardt, K. Angew. Chem., Int. Ed. Engl. 1989, 28, 1153-1172.
139. Bossek, U.; Saher, M.; Weyhermuller, T.; Wieghardt, K. J. Chem. Soc., Chem. Commun. 1992, 1780-1782.