Simulation of atomic cadmium spectroscopy in rare gas solids using pair potential

Journal of Physical Chemistry A

Volumn 104, Issue 16, 2000, Pages 3553-3562

  Healy, Brendan ^a   McCaffrey, John G ^a  

^a NATIONAL UNIVERSITY OF IRELAND   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; ATOMIC SPECTROSCOPY; CHEMICAL BONDS; CRYSTAL LATTICES; ELECTRON ENERGY LEVELS; EMISSION SPECTROSCOPY; KRYPTON; LATTICE VIBRATIONS; LUMINESCENCE OF SOLIDS; NEON; ULTRAVIOLET SPECTROSCOPY; XENON;

MULTIVACANCY SITE OCCUPANCY;

CADMIUM;

EID: 0033742094     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp993557d     Document Type: Article

References (18)

1. McCaffrey, J. G.; Ozin, G. A. J. Chem. Phys. 1994, 101, 10354.
2. Bracken, V. A.; Gürtler, P.; McCaffrey, J. G. J. Chem. Phys. 1997, 107, 5290.
3. Crepin, C.; Tramer, A. J. Chem. Phys. 1992, 97, 4772.
4. Healy, B.; McCaffrey, J. G. J. Chem. Phys. 1999, 110, 3903.
5. McCaffrey, J. G.; Kerins, P. N. J. Chem. Phys. 1997, 106, 7885.
6. McCaffrey, J. G.; Healy, B. Unpublished results of 1999.
7. Zuniga, J.; Bastida, A.; Requena, A.; Halberstadt, N.; Beswick, J. A. J. Chem. Phys. 1993, 98, 1007.
8. Bastida, A.; Zuniga, J.; Requena, A.; Soep, B.; Halberstadt, N.; Beswick, J. J. Chim. Phys. (Paris) 1995, 92, 384.
9. Kerins, P.; McCaffrey, J. G. J. Chem. Phys. 1998, 109, 3131.
10. Funk, D. J.; Kvaran, A.; Breckenridge, W. H. J. Chem. Phys. 1989, 90, 2915.
11. Funk, D. J.; Breckenridge, W. H. J. Chem. Phys. 1989, 90, 2927.
12. 6 provides an attractive portion to this curve.
13. Kaup, J. G.; Breckenridge, W.H. J. Phys. Chem. 1995, 99, 13701.
14. Roncero, O.; Beswick, J.; Halberstadt, N.; Soep, B. Dynamics of Polyatomic van der Waals Complexes; Halberstadt, N., Janda, K., Eds.; Plenum Press: New York, 1990; p 471.
15. 4 cluster is predicted at 225.33 nm, and emission from this state is predicted at 399.83 nm. Hence, the absorption transition will be slightly to the blue of the atomic transition while a large red shift is expected in the emission.
16. Hoffmann-Millack, B.; Klein, A.; Lagier, H.; Maid, B.; Hormes, J. J. Chem. Phys. 1989, 136, 453.
17. Outward motion of the 12 argon atoms surrounding the guest cadmium atom in a substitutional site results in a compression of the 12 Ar-Ar distances directly on-axis and an expansion of the 24 Ar-Ar interactions existing on the surface of the first-sphere atoms. Because all the atoms undergoing motion are next-nearest neighbours, the Ar-Ar expansions and contractions mentioned will be identical in magnitude with the extent of the Cd-Ar expansion. The total number of Ar-Ar interactions changing as a result of the substitutional site expansion is thereby 36.
18. Bililign, S.; Gutowski, M.; Simons, J.; Breckenridge, W. H. J. Chem. Phys. 1993, 99, 3815.