Theoretical study on the stability of the novel B32 isomers and their metal-poly-boron MB32 cluster

Journal of Molecular Structure: THEOCHEM

Volumn 759, Issue 1-3, 2006, Pages 25-30

  Zhao, Yuan Yuan ^a   Zhang, Ming Yu ^a   Chen, Bao Guo ^a   Zhang, Jian ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

DFT; Ionic bond; Metal poly boron MB32; Stability

Indexed keywords

EID: 32644456284     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.10.048     Document Type: Article

References (29)

1. O. Mishima, J. Tanaka, S. Yamaoko, and O. Fukunaga Science 238 1987 181
2. M.I. Eremets, V.V. Struzhikin, H. Nao, and R.J. Hemley Science 293 2001 272
3. D. Ciuparu, R.F. Klie, Y. Zhu, and L. Pfefferle J. Phys. Chem. B 108 2004 3967
4. H.J. Zhai, L.S. Wang, A.N. Alexandrova, A.I. Boldyrev, and V.G. Zakrzewski J. Phys. Chem. A 107 2003 9319
5. H.J. Zhai, L.S. Wang, A.N. Alexandrova, and A.I. Boldyrev J. Chem. Phys. 117 2002 7917
6. J. Ma, Z.H. Li, K.N. Fan, and M.F. Zhou Chem. Phys. Lett. 372 2003 708
7. Q.S. Li, Q. Jin, Q. Luo, A.C. Tang, J.K. Yu, and H.X. Zhang Int. J. Quantum Chem. 94 2003 269
8. A.N. Alexandrova, A.I. Boldyrev, H.J. Zhai, and L.S. Wang J. Phys. Chem. A 108 2004 3509
9. S.J. Xu, J.M. Nilles, D. Radisic, W.J. Zheng, S. Stokes, K.H. Bowen, R.C. Becker, and I. Boustani Chem. Phys. Lett. 379 2003 282
10. J.E. Fowler, and J.M. Ugalde J. Phys. Chem. A 104 2000 397
11. Z. Slanina, M.L. Sun, and S.L. Lee Nanostruct. Mater. 8 1997 623
12. I. Boustani, A. Rubio, and J.A. Alonso Chem. Phys. Lett. 311 1999 21
13. J.K. Burdett, E. Canadell, and G.J. Miller J. Am. Chem. Soc. 108 1986 6561
14. J.K. Burdett, and E. Canadell Inorg. Chem. 27 1988 4437
15. P.F. Thomas J. Solid State Chem. 154 2000 110
16. H.C. Longuet-Higgins, and M.de V. Roberts Proc. R. Soc. London, Ser. A 224 1954 336
17. A.N. Alexandrova, and A.I. Boldyrev Inorg. Chem. 43 2004 3588
18. Q.S. Li, and Q. Jin J. Phys. Chem. A 108 2004 855
19. Q.S. Li, and Q.J. Jin Phys. Chem. A 107 2003 7869
20. R.H. Mitchell Chem. Rev. 101 2001 1301
21. R.F.W. Bader Atoms in Molecules: A Quantum Theory 1990 Clarendon Press Oxford
22. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, C. Clifford, S.J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head- Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN 98, Revision A.9, Gaussian Inc., Pittsburgh, PA, 1998.
23. W.N. Lipscomb, and L. Massa Inorg. Chem. 31 1992 2299
24. A.C. Tang, Q.S. Li, and C.W. Liu J. Chem. Phys. Lett. 201 1993 465
25. J.I. Aihara J. Phys. Chem. A 105 2001 5486
26. R.B. King Chem. Rev. 101 2001 1119
27. A.R. Katritzky Chem. Rev. 101 2001 1421
28. P.v.R. Schleyer, C. Maerker, A. Dransfeld, H. Jiao, and N.J.v.R.E. Hommes J. Am. Chem. Soc. 118 1996 6317
29. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553