Electronic switch in the carbon-centered [Re 12CS 17(CN) 6] n- nanocluster

Nanoscale Research Letters

Volumn 4, Issue 9, 2009, Pages 1110-1114

  Gabuda, S P ^a   Kozlova, S G ^a,b   Mironov, Yu V ^a   Fedorov, V E ^a,c  

^a NIKOLAEV INSTITUTE OF INORGANIC CHEMISTRY   (Russian Federation)

^b BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

^c NOVOSIBIRSK STATE UNIVERSITY   (Russian Federation)

Author keywords

12 Rhenium nanocluster; 13C NMR; DFT; Electron localization function; Switch

Indexed keywords

12-RHENIUM NANOCLUSTER; 13C NMR; ABRUPT CHANGE; C ATOMS; DFT; ELECTRON LOCALIZATION FUNCTION; ELECTRONIC SWITCHES; EXTERNAL ELECTRIC FIELD; METAL CLUSTER; MOLECULAR SWITCHES; NMR SIGNALS; OXIDATION STATE; PERSPECTIVE MODELS;

ELECTRIC FIELDS; NANOCLUSTERS; PROBABILITY DENSITY FUNCTION; RHENIUM;

NUCLEAR MAGNETIC RESONANCE;

EID: 70349987792     PISSN: 19317573     EISSN: 1556276X     Source Type: Journal    
DOI: 10.1007/s11671-009-9354-2     Document Type: Article

References (26)

1. M.C. Petty, M.R. Bryce, D. Bloor (eds.), Introduction to molecular electronics (Oxford University Press, New York, 1995).
2. S. Kubatkin, A. Danilov, M. Hjort, J. Corlil, J.-L. Bredas, N. Stuhr-Hansen, P. Hedegard, T. Bjornholm, Nature 425, 698 (2003). doi:10.1038/nature02010.
3. B. Champin, P. Mobian, J.-P. Sauvage, Chem. Soc. Rev. 36, 358 (2007). doi:10.1039/b604484k.
4. R. Chevrel, M. Sergent, J. Prigent, J. Solid. State. Chem. 3, 515 (1971). doi:10.1016/0022-4596(71)90095-8.
5. O. Fisher, M.B. Maple (eds.), Superconductivity in ternary compounds I. Structural electronic and lattice properties (Springer, Berlin, 1982).
6. O. Fisher, M.B. Maple (eds.), Superconductivity in ternary compounds II. Superconductivity and magnetism (Springer, Berlin, 1982).
7. Y.V. Mironov, N.G. Naumov, S.G. Kozlova, S.J. Kim, V.E. Fedorov, Angew. Chem. Int. Ed. 44, 6867 (2005). doi:10.1002/anie.200501911.
8. A. Aviram, M.A. Ratner, Chem. Phys. Lett. 29, 277-283 (1974). doi:10.1016/0009-2614(74)85031-1.
9. C. Joachim, J.K. Gimzewski, H. Tang, Phys. Rev. B. 58, 16407 (1998).
10. A. Aviram, C. Joachim, M. Pomerantz, Chem. Phys. Lett. 146, 490-495 (1988). doi:10.1016/0009-2614(88)87486-4.
11. F. Moresco, G. Meyer, K.-H. Rieder, Phys. Rev. Lett. 86(4), 672 (2001). doi:10.1103/PhysRevLett.86.672.
12. A.D. Becke, K.E. Edgecombe, J. Chem. Phys. 92, 5387 (1990).
13. A. Savin, O. Jepsen, J. Flad, O.K. Andersen, H. Preuss, H.G. von Schnering, Angew. Chem. Int. Ed. Engl. 31, 187 (1992). doi:10.1002/anie.199201871.
14. Amsterdam Density Functional (ADF) program Release 2006.02. (Vrije Universteit: Amsterdam, The Netherlands, 2006).
15. S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58, 1200 (1980).
16. A.D. Becke, Phys. Rev. A. 38, 3098 (1988). doi:10.1103/PhysRevA.38.3098.
17. J.P. Perdew, Phys. Rev. B. 33(12), 8822 (1986). doi:10.1103/PhysRevB.33.8822.
18. E. Van Lenthe, A.E. Ehlers, E.J. Baerends, J. Chem. Phys. 110, 8943 (1999). doi:10.1063/1.478813.
19. G. Schreckenbach, T. Ziegler, J. Phys. Chem. 99, 606 (1995). doi:10.1021/j100002a024.
20. G. Schreckenbach, T. Ziegler, Int. J. Quantum. Chem. 61, 899 (1997). doi:10.1002/(SICI)1097-461X(1997)61:6<899::AID-QUA3>3.0.CO;2-R.
21. S.K. Wolff, T. Ziegler, J. Chem. Phys. 109, 895 (1998). doi:10.1063/1.476630.
22. A. Savin, O. Jepsen, J. Flad, Angew. Chem. 31, 187 (1992). doi:10.1002/anie.199201871.
23. M. Kaupp, Chem. Commun. 1141 (1996). doi:10.1039/cc9960001141.
24. A. Abragam, The principles of nuclear magnetism (Oxford University Press, Oxford, 1961).
25. S.G. Kozlova, S.P. Gabuda, V.A. Slepkov, Y.V. Mironov, V.E. Fedorov, Polyhedron 27, 3167 (2008). doi:10.1016/j.poly.2008.07.007.
26. J.G. Kushmerick, D.B. Holt, S.K. Pollack, M.A. Ratner, J.C. Yang, T.L. Schull, J. Naciri, M.H. Moore, R. Shashidhar, J. Am. Chem. Soc. 124, 10654 (2002). doi:10.1021/ja027090n.