Collision-Induced IR Emission Spectra of Impact-Heated Rare-Gas Clusters

Journal of Physical Chemistry A

Volumn 107, Issue 45, 2003, Pages 9567-9574

  Gross, A ^a   Levine, R D ^a,b  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY COLLISIONS; DEFORMATION ENERGY; RARE GAS CLUSTERS;

COMPUTER SIMULATION; EMISSION SPECTROSCOPY; EQUATIONS OF MOTION; FOURIER TRANSFORMS; GROUND STATE; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; PHOTONS; QUANTUM THEORY;

INERT GASES;

EID: 0344063468     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0356160     Document Type: Article

References (39)

1. Kranendonk, J. v. Can. J. Phys. 1968, 46, 1173.
2. Bar-Ziv, E.; Weiss, S. J. Chem. Phys. 1976, 64, 2412.
3. Phenomena Induced by Intermolecular Interactions; Birnbaum, G., Ed.; Plenum: New York, 1985; Vol. 127.
4. Levine, R. D.; Bernstein, R. B. Molecular Reaction Dynamics and Chemical Reactivity; Oxford University Press: New York, 1987.
5. McQuarrie, D. A. Statistical Mechanics; University of California Science Books, 2000.
6. Birnbaum, G.; Guillot, B.; Bratos, S. Adv. Chem. Phys. 1982, 51, 49.
7. Poll, J. D.; Kranendonk, J. V. Can. J. Phys. 1961, 39, 189.
8. Gross, A.; Levine, R. D. J. Chem. Phys. 2003, 119, 4283.
9. As is well-known, the spectrum can be computed from the dipole or the dipole velocity or the dipole acceleration. For exact wave functions these three formulations are strictly equivalent. Quantum chemists are familiar with the observation that for approximate electronic wave functions the three ways do not give identical results. Here we make the same observation for the nuclear motion. The spectrum that we compute from the dipole is qualitatively similar to that computed using the dipole velocity, with one essential difference. The spectrum computed from the dipole velocity will be an asymmetric function of frequency and as such will have a small but finite first moment. The spectrum computed from the dipole will be a symmetric function of the frequency and its first moment vanishes identically. See ref 8 for a further discussion.
10. Even, U.; Sheck, I.; Jortner, J. Chem. Phys. Lett. 1993, 202, 303.
11. Raz, T.; Levine, R. D. Essentials of Surface Impact Chemistry. In Atomic and Molecular Beams; Campargue, R., Ed.; Springer: Berlin, 2000.
12. Raz, T.; Levine, R. D. Chem. Phys. 1996, 213, 263.
13. Gross, A.; Kornweitz, H.; Raz, T.; Levine, R. D. Chem. Phys. Lett. 2002, 354, 395.
14. Yasumatsu, H.; Koizumi, S.; Terasaki, A.; Kondow, T. J. Chem. Phys. 1996, 105, 9509.
15. Christen, W.; Even, U.; Raz, T.; Levine, R. D. J. Chem. Phys. 1998, 108, 10262.
16. Christen, W.; Even, U. J. Phys. Chem. A 1998, 102, 9420.
17. Raz, T.; Levine, R. D. J. Phys. Chem. 1995, 99, 7495.
18. Kornweitz, H.; Levine, R. D. Chem. Phys. Lett. 1998, 294, 153.
19. Even, U.; deLange, P.; Jonkman, H.; Kommandeur, J. Phys. Rev. Lett. 1986, 56, 965.
20. Hendell, E.; Even, U. J. Chem. Phys. 1995, 103, 9045.
21. Chajia, M.; Levine, R. D. Chem. Phys. Lett. 1999, 304, 385.
22. Andersson, P. U.; Petterson, J. B. C. Z. Phys. D 1997, 41, 57.
23. Gebhardt, C. R.; Witte, T.; Kompa, K. L. ChemPhysChem 2003, 4, 308.
24. Caledonia, G. E.; Krech, R. H.; Wilkerson, T. D.; Taylor, R. L.; Birnbaum, G. Phys. Rev. A 1991, 43, 6010.
25. Allen, M. P.; Tildesey, D. J. Computer Simulations of Liquid; Clarendon: Oxford, U.K., 1987.
26. Grigoriev, I. M.; Tonkov, M. V.; Frommhold, L. Phys. Rev. A 1998, 58, 4978.
27. Matcha, R. L.; Nesbet, R. K. Phys. Rev. 1967, 160, 72.
28. Meuwly, M.; Doll, J. D. Phys. Rev. A 2002, 66, 023202.
29. Aziz, R. A. J. Chem. Phys. 1993, 99, 4518.
30. This is what dynamicists in the liquid phase will call an "encounter"; see, for example: Schwartz, B. J.; King, J. C. The Molecular Basis for Solvent Caging; Harris, C. B., Ed.; Kluwer: Dordrecht, The Netherlands, 1994.
31. Raz, T.; Schek, I.; Ben-Nun, M.; Even, U.; Jortner, J.; Levine, R. D. J. Chem. Phys. 1994, 101, 8606.
32. Jackson, J. D. Classical Electrodynamics; Wiley: New York, 1962.
33. Bracewell, R. N. The Fourier Transform and its Applications; McGraw-Hill: New York, 1986.
34. 3.
35. This is the from of the Planck equilibrium density of radiation when stimulated emission is neglected, as is the case for a sample small compared to the wavelength.
36. Bethe, H. A.; Jackiw, R. W. Intermediate Quantum Mechanics, 2nd ed.; W. A. Benjamin, Inc.: Reading, MA, 1968.
37. Gray, C. G. J. Phys. B 1971, 4, 1661.
38. The surface is coated by a thin metal layer so as to conduct away any charges that may accumulate on it.
39. We are indebted to Prof. A. H. Zewail for this observation.