Nonrigidity, delocalization, spatial confinement and electronic-vibrational spectroscopy of anthracene-helium clusters

Andreas Heidenreich*, Uzi Even, Joshua Jortner

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

36 Scopus citations

Abstract

Quantum mechanical calculations for the energetics and nuclear dynamics of anthracene·Hen (n=1,2) clusters in the ground electronic state (SO) and in the first spin-allowed electronically excited state (S1) were carried out. The anomalous shifts and the vibrational level structure in the electronic-vibrational excitations of anthracene·Hen (n=1-4) clusters were examined. As a result, the implication of spatial delocalization, of horizontal large scale nuclear motion and of He-He interactions in these floppy quantum clusters was elucidated.

Original languageEnglish
Pages (from-to)10175-10185
Number of pages11
JournalJournal of Chemical Physics
Volume115
Issue number22
DOIs
StatePublished - 8 Dec 2001

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