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Theory of Atomic and Molecular Clusters pp 54–85Cite as

Structures, Vibrational Frequency Shifts and Photodissociation Dynamics of ArnHF van der Waals Clusters

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Part of the book series: Springer Series in Cluster Physics ((CLUSTER))

Abstract

Our theoretical work on the equilibrium structures, HF vibrational frequency shifts and the photodissociation of HF in ArnHF clusters with n = 1 − 14, 54, is reviewed. The main objective of these studies has been to reveal how the frequency shift and the photofragmentation dynamics of the solute HF molecule evolve in the course of formation and closing of the first solvent (Arn) shell, at n = 12 and, in the case of photodissociation, upon addition of the complete second solvent layer, for n = 54. All spectroscopic and dynamical properties of ArnHF clusters that we have studied exhibit strong dependence on the cluster size and isomeric structure.

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  1. Department of Chemistry, New York University, New York, New York, 10003, USA

    Zlatko Bačić

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  1. Chemistry Division, Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, IL, 60439, USA

    Julius Jellinek

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Bačić, Z. (1999). Structures, Vibrational Frequency Shifts and Photodissociation Dynamics of ArnHF van der Waals Clusters. In: Jellinek, J. (eds) Theory of Atomic and Molecular Clusters. Springer Series in Cluster Physics. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-58389-6_3

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