Dimensionality dependent water splitting mechanisms on free manganese oxide clusters

Nano Letters

Volumn 13, Issue 11, 2013, Pages 5549-5555

  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

Ab initio calculations; dimensionality crossover; gas phase reactions; manganese oxide clusters; water splitting

Indexed keywords

AB INITIO CALCULATIONS; DIMENSIONALITY CROSSOVER; FIRST-PRINCIPLES CALCULATION; GAS-PHASE MEASUREMENT; GAS-PHASE REACTIONS; GROUND-STATE STRUCTURES; MANGANESE OXIDE NANOCLUSTERS; WATER SPLITTING;

CALCULATIONS; MANGANESE; MANGANESE OXIDE; OXIDES;

MANGANESE REMOVAL (WATER TREATMENT);

MANGANESE DERIVATIVE; MANGANESE OXIDE; OXIDE; OXYGEN; WATER;

ARTICLE; CATALYSIS; CHEMISTRY; GAS; PHASE TRANSITION; SPECTROSCOPY; VIBRATION;

CATALYSIS; GASES; MANGANESE COMPOUNDS; OXIDES; OXYGEN; PHASE TRANSITION; SPECTRUM ANALYSIS; VIBRATION; WATER;

EID: 84887834676     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl4031456     Document Type: Article

References (30)

1. 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
2. Yagi, M.; Kaneko, M. Molecular Catalysts for Water Oxidation Chem. Rev. 2001, 101, 21-36
3. Mukhopadhyay, S.; Mandal, S. K.; Bhaduri, S.; Armstrong, W. H. Manganese Clusters with Relevance to Photosystem II Chem. Rev. 2004, 104, 3981-4026
4. Brimblecombe, R.; Swiegers, G. F.; Dismukes, G. C.; Spiccia, L. Sustained Water Oxidation Photocatalysis by a Bioinspired Manganese Cluster Angew. Chem., Int. Ed. 2008, 47, 7335
5. 4-Cubane Water Oxidation Catalysts: Lessons from Photosynthesis Acc. Chem. Res. 2009, 42, 1935-1943
6. 2O) as Biomimetic Oxygen-Evolving Catalysts Angew. Chem., Int. Ed. 2010, 49, 2233-2237
7. Dau, H.; Limberg, C.; Reier, T.; Risch, M.; Roggan, S.; Strasser, P. The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis Chem. Cat. Chem. 2010, 2, 724-761
8. 0) Characterized by X-ray Absorption Spectroscopy at 20 K and Room Temperature Biochemistry 2005, 44, 1894-1908
9. Klauss, A.; Sikora, T.; Süss, B.; Dau, H. Fast Structural Changes (200-900 ns) May Prepare the Photosynthetic Manganese Complex for Oxidation by the Adjacent Tyrosine Radical Biochim. Biophys. Acta-Bioenergetics 2012, 1817, 1196-1207
10. Chiavarino, B.; Crestoni, M. E.; Fornarini, S. Gas-Phase Dioxygen Activation by Binuclear Manganese Clusters Chem.-Eur. J. 2002, 8, 2740-2746
11. Oliveira, M. C.; Marcalo, J.; Vieira, M. C.; Almoster Ferreira, M. A. Formation of Some Transition Metal Oxide Cluster Anions and Reactivity Towards Methanol in the Gas Phase Int. J. Mass Spectrom. 1999, 185-187, 825-835
12. 2 Phys. Rev. B 1993, 48, 2081-2097
13. Ganguly, S.; Kabir, M.; Sanyal, B.; Mookerjee, A. Unusual Structure and Magnetism in Manganese Oxide Nanoclusters Phys. Rev. B 2011, 83, 020411
14. Nayak, S. K.; Jena, P. Giant Magnetic Moments and Magnetic Bistability of Stoichiomatric MnO Clusters Phys. Rev. Lett. 1998, 81, 2970-2973
15. Nayak, S. K.; Jena, P. Equilibrium Geometry, Stability, and Magnetic Properties of Small MnO Clusters J. Am. Chem. Soc. 1999, 121, 644-652
16. 6+: A Molecular Mimic of the Photosynthetic Water Oxidation Enzyme? J. Am. Chem. Soc. 2000, 122, 10353-10357
17. Oomens, J.; Sartakov, B. G.; Meijer, G.; von Helden, G. Gas-Phase Infrared Multiple Photon Dissociation Spectroscopy of Mass-Selected Molecular Ions Int. J. Mass Spectrom. 2006, 254, 1-19
18. Fielicke, A.; Kirilyuk, A.; Ratsch, C.; Behler, J.; Scheffler, M.; von Helden, G.; Meijer, G. Structure Determination of Isolated Metal Clusters via Far-Infrared Spectroscopy Phys. Rev. Lett. 2004, 93, 023401
19. Fielicke, A.; von Helden, G.; Meijer, G. Far-Infrared Spectroscopy of Isolated Transition Metal Clusters Eur. Phys. J. D 2005, 34, 83-88
20. 20 Clusters in the Gas Phase Science 2008, 321, 674-676
21. Herzberg, G. Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules; Van Nostrand: Princeton, 1945.
22. Ziemann, P. J.; Castleman, A. W., Jr. Mass-Spectrometric Investigation of the Stabilities and Structures of Mn-O and Mn-Mg-O Clusters Phys. Rev. B 1992, 1992, 13480-13486
23. Pramann, A.; Rademann, K. Mass-Spectrometric Study of Formation and Stability of Manganese and Manganese Oxide Cluster Anions Int. J. Mass Spectrom. 1999, 185-187, 673-683
24. Williams, K. S.; Hooper, J. P.; Horn, J. M.; Lightstone, J. M.; Wang, H.; Ko, Y. J.; Bowen, K. H. Magnetic Structure Variation in Manganese-Oxide Clusters J. Chem. Phys. 2012, 136, 134315
25. Jia, M.-Y.; Xu, B.; Ding, X.-L.; He, S.-G.; Ge, M.-F. Experimental and Theoretical Study of the Reactions between Manganese Oxide Cluster Anions and Hydrogen Sulfide J. Phys. Chem. C 2012, 116, 24184-24192
26. Bernhardt, T. M. Gas-Phase Kinetics and Catalytic Reactions of Small Silver and Gold Clusters Int. J. Mass Spectrom. 2005, 243, 1-29
27. Troullier, N.; Martins, J. L. Efficient Pseudopotentials for Plane-Wave Calculations Phys. Rev. B 1991, 43, 1993-2006
28. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simpel Phys. Rev. Lett. 1996, 77, 3865-3868
29. Bernhardt, T. M.; Heiz, U.; Landman, U. Chemical and Catalytic Properties of Size-Selected Free and Supported Clusters. In Nanocatalysis; Heiz, U.; Landman, U., Eds.; Springer-Verlag: Berlin, 2007; pp 1-191.
30. Gong, Y.; Wang, G.; Zhou, M. Formation and Characterization of Mononuclear and Dinuclear Manganese Oxide-Dioxygen Complexes in Solid Argon J. Phys. Chem. A 2008, 112, 4936-4941