ENERGETICS AND DYNAMICS OF MOLECULAR CLUSTERS

Joshua Jortner, Uzi Even, Alexander Goldberg, Israel Schek, Tamar Raz and Raphael D. Levine
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Joshua Jortner: School of Chemistry, Tel Aviv University, Ramat Aviv, 69978 Tel Aviv, Israel
Uzi Even: School of Chemistry, Tel Aviv University, Ramat Aviv, 69978 Tel Aviv, Israel
Alexander Goldberg: School of Chemistry, Tel Aviv University, Ramat Aviv, 69978 Tel Aviv, Israel
Israel Schek: School of Chemistry, Tel Aviv University, Ramat Aviv, 69978 Tel Aviv, Israel
Tamar Raz: The Fritz Haber Research Center for Molecular Dynamics, The Hebrew University of Jerusalem, Jerusalem 91904, Israel
Raphael D. Levine: The Fritz Haber Research Center for Molecular Dynamics, The Hebrew University of Jerusalem, Jerusalem 91904, Israel

Surface Review and Letters (SRL), 1996, vol. 03, issue 01, 263-280

Abstract: We address some of the unique and basic features of molecular clusters, which involve (i) surface, interior, and site-selective energetics and dynamics, and (ii) the size dependence of the energetic, spectroscopic, electromagnetic, and dynamic attributes of large finite systems. Cluster-size equations provide a unified (but not universal) description of the “transition” of different attributes of clusters to those of the macroscopic bulk material. We explored fundamental issues, e.g., the physical origins of cluster-size effects, which originate either from cluster packing or from excluded volume contributions, and discussed some applications for the quantification of the size dependence of site-specific ionization potentials, extravalence and intravalence electronic spectroscopy, collective vibrational excitations, and dynamic effects. The quantification of dynamic cluster-size effects for energy acquisition in high-energy cluster-wall collisions opens avenues for the exploration of cluster-impact thermal femtosecond chemistry.

Date: 1996
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DOI: 10.1142/S0218625X96000516

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