Strain-driven endohedral redox couple CeIV/CeIII in nitride clusterfullerenes CeM2N@C80 (M = Sc, Y, Lu)

Journal of Physical Chemistry Letters

Volumn 4, Issue 15, 2013, Pages 2404-2409

  Zhang, Yang ^a   Schiemenz, Sandra ^a   Popov, Alexey A ^a   Dunsch, Lothar ^a  

^a IFW DRESDEN   (Germany)

Author keywords

cerium oxidation; DFT computations; electrochemistry; endohedral fullerene; NMR spectroscopy

Indexed keywords

CLUSTER METAL; CLUSTERFULLERENES; DFT COMPUTATIONS; ENDOHEDRAL FULLERENE; IONIC RADIUS; REDOX COUPLE; REDOX POTENTIALS; SPECTROSCOPIC STUDIES;

ELECTROCHEMISTRY; IONIC CONDUCTION IN SOLIDS; ISOMERS; NITRIDES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXIDATION; REDOX REACTIONS; SCANDIUM COMPOUNDS; SPECTROSCOPIC ANALYSIS;

CERIUM;

EID: 84881281193     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz4009773     Document Type: Article

References (44)

1. Popov, A. A.; Yang, S.; Dunsch, L. Endohedral Fullerenes Chem. Rev. 2013, 10.1021/cr300297
2. Lu, X.; Feng, L.; Akasaka, T.; Nagase, S. Current Status and Future Developments of Endohedral Metallofullerenes Chem. Soc. Rev. 2012, 41, 7723-7760
3. Rodriguez-Fortea, A.; Balch, A. L.; Poblet, J. M. Endohedral Metallofullerenes: A Unique Host-Guest Association Chem. Soc. Rev. 2011, 40, 3551-3563
4. Yang, S.; Liu, F.; Chen, C.; Jiao, M.; Wei, T. Fullerenes Encaging Metal Clusters-Clusterfullerenes Chem. Commun. 2011, 47, 11822-11839
5. Chaur, M. N.; Melin, F.; Ortiz, A. L.; Echegoyen, L. Chemical, Electrochemical, and Structural Properties of Endohedral Metallofullerenes Angew. Chem., Int. Ed. 2009, 48, 7514-7538
6. Popov, A. A.; Dunsch, L. Electrochemistry in Cavea: Endohedral Redox Reactions of Encaged Species in Fullerenes J. Phys. Chem. Lett. 2011, 2, 786-794
7. 80 and Its Ion Radicals J. Am. Chem. Soc. 2012, 134, 19607-19618
8. 80 Phys. Chem. Chem. Phys. 2010, 12, 7840-7847
9. 80: Synthesis, Isolation, and Effect of the Group-III Metal Inorg. Chem. 2012, 51, 3039-3045
10. 80 ACS Nano 2010, 4, 4857-4871
11. h Fullerene Cage Chem. Commun. 2009, 6391-6393
12. Dunsch, L.; Yang, S. Metal Nitride Cluster Fullerenes: Their Current State and Future Prospects Small 2007, 3, 1298-1320
13. Stevenson, S.; Rice, G.; Glass, T.; Harich, K.; Cromer, F.; Jordan, M. R.; Craft, J.; Hadju, E.; Bible, R.; Olmstead, M. M. Small-Bandgap Endohedral Metallofullerenes in High Yield and Purity Nature 1999, 401, 55-57
14. 2n (2n=78, 80) Chem.-Eur. J. 2006, 12, 7848-7855
15. 80 (M = Sc, Y, Er) J. Am. Chem. Soc. 2006, 128, 6480-6485
16. 2n (M=Sc, Y, La, and Gd; 2n=80, 84, 88, 92, 96) Chem.-Eur. J. 2009, 15, 10997-11009
17. 80, and Spatial Spin Charge Separation as a General Principle for Anions of Endohedral Fullerenes with Metal-Localized Lowest Unoccupied Molecular Orbitals J. Am. Chem. Soc. 2008, 130, 17726-17742
18. 80: Two-Dimensional Circulation of Encapsulated Metal Atoms Inside a Fullerene Cage Chem.-Eur. J. 2009, 15, 9486-9493
19. Yamada, M.; Nakahodo, T.; Wakahara, T.; Tsuchiya, T.; Maeda, Y.; Akasaka, T.; Kako, M.; Yoza, K.; Horn, E.; Mizorogi, N. Positional Control of Encapsulated Atoms Inside a Fullerene Cage by Exohedral Addition J. Am. Chem. Soc. 2005, 127, 14570-14571
20. 78 and Its Bis-Silylated Derivative Chem. Commun. 2008, 558-560
21. 72 J. Phys. Chem. A 2008, 112, 7627-7631
22. Suzuki, T.; Kikuchi, K.; Oguri, F.; Nakao, Y.; Suzuki, S.; Achiba, Y.; Yamamoto, K.; Funasaka, H.; Takahashi, T. Electrochemical Properties of Fullerenolanthanides Tetrahedron 1996, 52, 4973-4982
23. 96 Cage Chem.-Eur. J. 2008, 14, 4594-4599
24. 96 Chem.-Eur. J. 2008, 14, 8213-8219
25. Sroor, F. M. A.; Edelmann, F. T. Tetravalent Cerium Chemistry. In Cerium: Molecular Structure, Technological Applications and Health Effects; Izyumov, A.; Plaksin, G., Eds.; Nova Science Publishers: Hauppauge, New York, 2012.
26. Streitwieser, A. J.; Kinsley, S. A.; Rigsbee, J. T.; Fragala, I. L.; Ciliberto, E. Photoelectron Spectra And Bonding In Cerocene, Bis(π-[8]annulene)cerium(IV) J. Am. Chem. Soc. 1985, 107, 7786-7788
27. Gulino, A.; Casarin, M.; Conticello, V. P.; Gaudiello, J. G.; Mauermann, H.; Fragala, I.; Marks, T. J. Efficient Synthesis, Redox Characteristics, and Electronic Structure of a Tetravalent Tris(cyclopentadienyl)cerium Alkoxide Complex Organometallics 1988, 7, 2360-2364
28. Buchler, J. W.; Scharbert, B. Metal Complexes with Tetrapyrrole Ligands. 50. Redox Potentials of Sandwichlike Metal Bis(octaethylporphyrinates) and Their Correlation with Ring-Ring Distances J. Am. Chem. Soc. 1988, 110, 4272-4276
29. Robinson, J. R.; Carroll, P. J.; Walsh, P. J.; Schelter, E. J. The Impact of Ligand Reorganization on Cerium(III) Oxidation Chemistry Angew. Chem., Int. Ed. 2012, 51, 10159-10163
30. Schelter, E. J. Cerium under the Lens Nat. Chem. 2013, 5, 348
31. Yang, S.; Zhang, L.; Zhang, W.; Dunsch, L. A Facile Route to Metal Nitride Clusterfullerenes by Using Guanidinium Salts: A Selective Organic Solid as the Nitrogen Source Chem.-Eur. J. 2010, 16, 12398-12405
32. 2N Unit with Buried f Electron Spin J. Am. Chem. Soc. 2006, 128, 8884-8889
33. Yang, S.; Popov, A. A.; Dunsch, L. Carbon Pyramidalization in Fullerene Cages Induced by the Endohedral Cluster: Non-Scandium Mixed Metal Nitride Clusterfullerenes Angew. Chem., Int. Ed. 2008, 47, 8196-8200
34. Greenwood, N. N.; Earnshaw, A. Chemistry of the Elements; Pergamon: Oxford, U.K., 1984.
35. Haddon, R. C. Pyramidalization-Geometrical Interpretation of the π-Orbital Axis Vector in 3 Dimensions J. Phys. Chem. 1987, 91, 3719-3720
36. 80 by Selective Chemical Oxidation J. Am. Chem. Soc. 2005, 127, 10885-10888
37. 80(I) (x=0-3) Compounds ChemPhysChem 2009, 10, 1037-1043
38. Connelly, N. G.; Geiger, W. E. Chemical Redox Agents for Organometallic Chemistry Chem. Rev. 1996, 96, 877-910
39. Granovsky, A. A. Firefly, version 8.0.0. http://classic.chem.msu.su/gran/ firefly/index.html (2008).
40. Huang, T.; Zhao, J.; Feng, M.; Popov, A. A.; Yang, S.; Dunsch, L.; Petek, H. A Multi-State Single-Molecule Switch Actuated by Rotation of an Encapsulated Cluster within a Fullerene Cage Chem. Phys. Lett. 2012, 552, 1-12
41. Huang, T.; Zhao, J.; Feng, M.; Popov, A. A.; Yang, S.; Dunsch, L.; Petek, H. A Molecular Switch Based on Current-Driven Rotation of an Encapsulated Cluster within a Fullerene Cage Nano Lett. 2011, 11, 5327-5332
42. Popov, A. A. Metal-Cage Bonding, Molecular Structures and Vibrational Spectra of Endohedral Fullerenes: Bridging Experiment and Theory J. Comput. Theor. Nanosci. 2009, 6, 292-317
43. 80 Chem. Commun. 2004, 2814-2815
44. Voevodin, V. V.; Zhumatiy, S. A.; Sobolev, S. I.; Antonov, A. S.; Bryzgalov, P. A.; Nikitenko, D. A.; Stefanov, K. S.; Voevodin, V. V. Practice of "Lomonosov" Supercomputer. Open Systems J. [Online]. http://www.osp.ru/os/2012/07/13017641 (2012).