Induced super-halogen behavior of metal moieties in halogen-doped clusters: Lini(-) and Alni(-), n = 13, 1, 2, 3

Journal of Physical Chemistry A

Volumn 110, Issue 50, 2006, Pages 13514-13520

  Leung, Hobart ^a   Naumkin, Fedor Y ^a  

^a UNIVERSITY OF ONTARIO INSTITUTE OF TECHNOLOGY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; DOPING (ADDITIVES); ELECTRON EMISSION; ELECTRONS; LITHIUM; PROBABILITY DENSITY FUNCTION;

CHARGE-DIPOLE INTERACTION; ELECTRON AFFINITY; NATURAL CHARGES; SUPER-HALOGEN BEHAVIOR;

HALOGEN ELEMENTS;

EID: 33846681230     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0631937     Document Type: Article

References (19)

1. Alonso, J. A. Chem. Rev. 2000, 100, 637.
2. Li, X.; Wu, H.; Wang, X.; Wang, L. Phys. Rev. Lett. 1998, 81, 1909.
3. Taylor, K. J.; Pettiette-Hall, C. L.; Cheshnovsky, O.; Smalley, R. E. J. Chem. Phys. 1992, 96, 3319.
4. Zhai H.-J.; Li, J.; Wang, L.-S. J. Chem. Phys. 2004, 121, 8369.
5. Gutsev, G. L.; Boldyrev, A. I. Chem. Phys. 1981, 56, 277.
6. Wang, X.-B.; Ding, C.-F.; Wang, L. S.; Boldyrev, A. I.; Simons, J. J. Chem. Phys. 1999, 110, 4763.
7. Elliott, B. M.; Koyle, E.; Boldyrev, A. I.; Wang, X.-B.; Wang, L.-S. J. Phys. Chem. A 2005, 109, 11560.
8. Bergeron, D. E.; Castleman, A. W., Jr.; Morisato, T.; Khanna, S. N. Science 2004, 304, 84;
9. J. Chem. Phys. 2004, 121, 10456.
10. Aprà, E.; Windus, T. L.; Straatsma, T. P.; Bylaska, E. J.; de Jong, W.; et al. NWChem A Computational Chemistry Package for Parallel Computers, Version 4.7; Pacific Northwest National Laboratory; Richland, WA, 2005. http://www.emsl.pnl.gov/docs/nwchem/.
11. Flükiger P.; Lüthi, H. P.; Portmann, S.; Weber, J. MOLEKEL 4.0; Swiss Center for Scientific Computing: Manno, Switzerland, 2000. http://www.cscs.ch/molekel/.
12. Schultz, N. E.; Staszewska, G.; Staszewski, P.; Truhlar, D. G. J. Phys. Chem. B 2004, 108, 4850.
13. NIST Chemistry WebBook; NIST Standard Reference Database No. 69, June, 2005 Release, http://webbook.nist.gov/chemistry/.
14. Fournier, R.; Cheng, J. B. Y.; Wong, A. J. Chem. Phys. 2003, 119, 9444.
15. Han Y.-K.; Jung, J. J. Chem. Phys. 2004, 121, 8500.
16. Autschbach, J.; Hess, B. A.; Johansson, M. P.; Neugebauer, J.; Patzschke, M.; Pyykkö, P.; Reiher, M.; Sundholm, D. Phys. Chem. Chem. Phys. 2004, 6, 11.
17. Wu, H.; Li, X.; Wang, X.-B.; Ding, C.-F.; Wang, L.-S. J. Chem. Phys. 1998, 109, 449.
18. Jung, J.; Kim, J. C.; Han, Y.-K. Phys. Rev. B 2005, 72, 155439.
19. Han, Y.-K.; Jung, J.; Kim, J. C. J. Chem. Phys. 2005, 122, 124319.