Water deprotonation via oxo-bridge hydroxylation and 18O-Exchange in free tetra-manganese oxide clusters

Journal of Physical Chemistry C

Volumn 119, Issue 20, 2015, Pages 10881-10887

  Lang, Sandra M ^a   Fleischer, Irene ^a   Bernhardt, Thorsten M ^a   Barnett, Robert N ^b   Landman, Uzi ^b  

^a UNIVERSITY OF ULM   (Germany)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BIOLOGY; CALCIUM COMPOUNDS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; GASES; HYDROXYLATION; MANGANESE OXIDE; OXIDES; PROTEINS;

BIOLOGICAL REACTION; EXPERIMENTAL EVIDENCE; FUNDAMENTAL CONCEPTS; HIERARCHICAL APPROACH; MOLECULAR MECHANISM; SPIN DENSITY FUNCTIONAL THEORY; WATER OXYGEN ATOMS; WATER SPLITTING REACTIONS;

ION EXCHANGE;

EID: 84930221747     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5106532     Document Type: Article

References (40)

1. Photosystem II The Light-Driven Water: Plastoquinone Oxidoreductase; Wydrzynski, T. J. and Sato, K., Eds.; Springer: Dordrecht, 2005.
2. Umena, Y.; Kawakami, K.; Shen, J.-R.; Kamiya, N. Crystal Structure of Oxygen-Evolving Photosystem II at a Resolution of 1.9 Å Nature 2011, 473, 55-60
3. McEvoy, J. P.; Brudvig, G. W. Water-Splitting Chemistry of Photosystem II Chem. Rev. (Washington, DC, U.S.) 2006, 106, 4455-4483
4. Dau, H.; Limberg, C.; Reier, T.; Risch, M.; Roggan, S.; Strasser, P. The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis ChemCatChem 2010, 2, 724-761
5. Dau, H.; Zaharieva, I.; Haumann, M. Recent Developments in Research on Water Oxidation by Photosystem II Curr. Opin. Chem. Biol. 2012, 16, 3-10
6. 2 Formation in Photosystem II Acc. Chem. Res. 2009, 42, 1871
7. 3 States J. Am. Chem. Soc. 2013, 135, 9442-9449
8. 3 State of Photosystem II Proc. Nat. Acad. Sci. U.S.A. 1995, 92, 3209-3213
9. 3 State of Photosystem II Biochemistry 1998, 37, 16908-16914
10. 2 Evolving Complex of Photosystem II Vary Independently during S-State Turnover Biochemistry 2000, 39, 4399-4405
11. Cox, N.; Messinger, J. Reflections on Substrate Water and Dioxygen Formation Biochim. Biophys. Acta 2013, 1827, 1020-1030
12. 18O Isotope Exchange Measurements Reveal that Calcium Is Involved in the Binding of One Substrate-Water Molecule to the Oxygen-Evolving Complex in Photosystem II Biochemistry 2003, 42, 6209-6217
13. 17O Electron-Electron Double Resonance-Detected NMR Spectroscopy J. Am. Chem. Soc. 2012, 134, 16619
14. Yagi, M.; Kaneko, M. Molecular Catalysts for Water Oxidation Chem. Rev. (Washington, DC, U.S.) 2001, 101, 21-36
15. Rüttinger, W.; Dismukes, G. C. Synthetic Water-Oxidation Catalysts for Artificial Photosynthetic Water Oxidation Chem. Rev. (Washington, DC, U.S.) 1997, 97, 1-24
16. Mukhopadhyay, S.; Mandal, S. K.; Bhaduri, S.; Armstrong, W. H. Manganese Clusters with Relevance to Photosystem II Chem. Rev. (Washington, DC, U.S.) 2004, 104, 3981-4026
17. 4-Cubane Water Oxidation Catalysts: Lessons from Photosynthesis Acc. Chem. Res. 2009, 42, 1935-1943
18. n Complexes Based on Synthetic, Isotopic Labeling, and Computational Studies J. Am. Chem. Soc. 2013, 135, 1073-1082
19. Lang, S. M.; Fleischer, I.; Bernhardt, T. M.; Barnett, R. N.; Landman, U. Dimensionality Dependent Water Splitting Mechanisms on Free Manganese Oxide Clusters Nano Lett. 2013, 13, 5549-5555
20. 2 Evolution-I. A Linear Four Step Mechanism Photochem. Photobiol. 1970, 11, 457-475
21. Bernhardt, T. M. Gas Phase Reaction Kinetics of Small Gold and Silver Clusters Int. J. Mass Spectrom. 2005, 243, 1-29
22. 2 Phys. Rev. B: Condens. Matter Mater. Phys. 1993, 48, 2081-2097
23. Troullier, N.; Martins, J. L. Efficient Pseudopotentials for Plane-Wave Calculations Phys. Rev. B: Condens. Matter Mater. Phys. 1991, 43, 1993-2006
24. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
25. 2-Evolving Complex of Photosystem II Biochemistry 2011, 50, 6308-6311
26. 2 State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interaction J. Am. Chem. Soc. 2011, 133, 19743-19757
27. 5 Cluster in Photosystem II Nat. Chem. 2013, 5, 660-666
28. Bernhardt, T. M.; Heiz, U.; Landman, U. Chemical and Catalytic Properties of Size-Selected Free and Deposited Clusters. In Nanocatalysis; Heiz, U.; Landman, U., Eds.; Springer-Verlag: Berlin, 2007; pp 1-191.
29. n (E = C, N, O, F, Si, P, S, Cl) Chem.-Eur. J. 1999, 5, 1176-1185
30. Magnera, T. F.; David, D. E.; Michl, J. Gas-Phase Water and Hydroxyl Binding Energies for Monopositive First-Row Transition-Metal Ions J. Am. Chem. Soc. 1989, 111, 4100-4103
31. 2-Evolving Complex of Photosystem II Inorg. Chem. 2007, 46, 2193-2203
32. Lundberg, M.; Blomberg, M. R. A.; Siegbahn, P. E. M. Modeling Water Exchange on Monomeric and Dimeric Mn Centers Theor. Chem. Acc. 2003, 110, 130-143
33. Tagore, R.; Chen, H.; Crabtree, R. H.; Brudvig, G. W. Determination of μ-Oxo Exchange Rates in Di-μ-Oxo Dimanganese Complexes by Electrospray Ionization Mass Spectrometry J. Am. Chem. Soc. 2006, 128, 9457-9465
34. Dubois, L.; Pécaut, J.; Charlot, M.-F.; Baffert, C.; Collomb, M.-N.; Deronzier, A.; Latour, J.-M. Carboxylate Ligands Drastically Enhance the Rates of Oxo Exchange and Hydrogen Peroxide Disproportionation by Oxo Manganese Compounds of Potential Biological Significance Chem.-Eur. J. 2008, 14, 3013-3025
35. IV-Oxo Cubane Dalton Trans. 2009, 5278-5280
36. Marcus, R. A. Unimolecular Dissociations and Free Radical Recombination Reactions J. Chem. Phys. 1952, 20, 359-364
37. Holbrook, K. A.; Pilling, M. J.; Robertson, S. H. Unimolecular Reactions, 2 nd ed.; John Wiley & Sons Ltd.: Chichester, U.K., 1996.
38. 2 and CO to Small Gold, Silver, and Binary Silver-Gold Cluster Anions from Temperature Dependent Reaction Kinetics Measurements J. Phys. Chem. A 2009, 113, 2724-2733
39. 18O-Water Exchange in Photosystem II: Substrate Binding and Intermediates of the Water Splitting Cycle Coord. Chem. Rev. 2008, 252, 306-317
40. Lang, S. M.; Fleischer, I.; Bernhardt, T. M.; Barnett, R. N.; Landman, U. to be published.