SPHEROIDAL VIBRATIONS OF Ar-CLUSTER ISOMERS ANALYZED BY MOLECULAR DYNAMICS CALCULATION

Yasushi Ozaki, Yasuji Shinoda, Masahiko Ichihashi and Tamotsu Kondow
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Yasushi Ozaki: Department of Chemistry, Faculty of Science, Josai University, Sakado, Saitama 350-02, Japan
Yasuji Shinoda: Department of Chemistry, Faculty of Science, Josai University, Sakado, Saitama 350-02, Japan
Masahiko Ichihashi: Department of Chemistry, School of Science, The University of Tokyo, Bunkyo-ku, Tokyo 113, Japan
Tamotsu Kondow: Department of Chemistry, School of Science, The University of Tokyo, Bunkyo-ku, Tokyo 113, Japan

Surface Review and Letters (SRL), 1996, vol. 03, issue 01, 479-482

Abstract: The vibrational motion of Ar clusters (Arn,n=20, 23, 25, 27, and 30) having isomers in a variety of shapes was simulated by the molecular dynamics method. The intensities of the breathing and quadruple spheroidal vibrations following the breathing-mode excitation of the isomers were calculated. It was found that only the breathing vibration was excited in nearly spherical isomers, while significant excitation of the quadruple spheroidal vibration as well as the breathing vibration was observed in nonspherical isomers. The degrees of sphericality of the isomers were assessed by use of their principal moments of inertia. The excitation of the quadruple spheroidal vibration was found to be closely related to the degrees of sphericality of the isomers.

Date: 1996
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DOI: 10.1142/S0218625X96000863

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