Theoretical study of the isomerism of stepwise-dydrogenated aluminum clusters Al13H2n - (n = 0-6) with the centered icosahedral Al13 framework

Russian Journal of Inorganic Chemistry

Volumn 50, Issue 1, 2005, Pages 50-60

  Charkin, O P ^a   Klimenko, N M ^b   Charkin, D O ^c   Mebel, A M ^d   Schleyer, P V R ^e  

^a INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

^b MIREA RUSSIAN TECHNOLOGICAL UNIVERSITY   (Russian Federation)

^c MOSCOW STATE UNIVERSITY   (Russian Federation)

^d FLORIDA INTERNATIONAL UNIVERSITY   (United States)

^e UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM DERIVATIVE;

AB INITIO CALCULATION; ANALYTIC METHOD; ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; HYDROGENATION; ISOMERISM; MAGNETISM; STRUCTURE ANALYSIS; THEORETICAL STUDY; VIBRATION;

EID: 14844346435     PISSN: 00360236     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (26)

1. P. Braunstein, L. Ogo, and P. R. Raithby, Metal Clusters in Chemistry (Wiley VCH, Berlin, 1999).
2. J. D. Corbett, Inorg. Chem. 39, 5178 (2000).
3. A. Schnepf and H. Schnoekel, Angew. Chem., Int. Ed. Engl. 40, 712 (2001).
4. N. A. Bul'enkov and D. L. Tytik, Izv. Ross. Akad. Nauk, Ser. Khim., No. 1, 1 (2001).
5. S. N. Khana and P. Jena, Phys. Rev. B: Condens. Matter 51, 13705 (1995).
6. X. Li and L. S. Wang, Phys. Rev. B: Condens. Matter 65, 153404 (2002).
7. O. P. Charkin, N. M. Klimenko, D. Moran, et al., Inorg. Chem. 40, 6913 (2001).
8. O. P. Charkin, N. M. Klimenko, D. Moran, et al., J. Phys. Chem. A 106, 11594 (2002).
9. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Chem. Phys. Lett. 365, 494 (2002).
10. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Faraday Discuss. 124, 215 (2003).
11. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Zh. Neorg. Khim. 49 (9), 1498 (2004) [Russ. J. Inorg. Chem. 49 (9), 1382 (2004)].
12. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Zh. Neorg. Khim. 49 (9), 1498 (2004) [Russ. J. Inorg. Chem. 49 (9), 1382 (2004)].
13. O. P. Charkin, N. M. Klimenko, D. O. Charkin, et al., Zh. Neorg. Khim. 49 (10), 1569 (2004) [Russ. J. Inorg. Chem. 49 (10), 1536 (2004)].
14. O. P. Charkin, N. M. Klimenko, D. O. Charkin, et al., Zh. Neorg. Khim. 49 (10), 1569 (2004) [Russ. J. Inorg. Chem. 49 (10), 1536 (2004)].
15. S. Buckart, N. Blessing, B. Klipp, et al., Chem. Phys. Lett. 301, 546 (1999).
16. A. Purath, R. Koeppe, and H. Schnoeckel, J. Chem. Soc., Chem. Commun., 1933 (1999).
17. A. Schnepf, G. Stoesser, R. Koeppe, and H. Schnoeckel, Angew. Chem., Int. Ed. Engl. 39, 1637 (2000).
18. A. D. J. Becke, J. Chem. Phys. 98, 5648 (1993).
19. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B: Condens. Matter 37, 785 (1988).
20. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., GAUS-SIAN-98, Revision A.7 (Gaussian, Inc., Pittsburg, PA, 1998).
21. R. Ditchfield, Mol. Phys. 27, 789 (1974).
22. K. Wolinski, J. F. Hilton, and P. Pulay, J. Am. Chem. Soc. 112, 8251 (1990).
23. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Zh. Neorg. Khim. 49 (12), 2048 (2004) [Russ. J. Inorg. Chem. 49 (12), 1898 (2004)].
24. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Zh. Neorg. Khim. 49 (12), 2048 (2004) [Russ. J. Inorg. Chem. 49 (12), 1898 (2004)].
25. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Russ. J. Inorg. Chem. 50 (Suppl. I), (2005).
26. L. V. Gurvich, G. V. Karachevtsev, V. N. Kondrat'ev, Yu. A. Lebedev, V. A. Medvedev, V. K. Potapov, and Yu. S. Khodeev, Chemical Bond Energies. Ionization Potentials and Electron Affinity (Nauka, Moscow, 1974) [in Russian].